(E)-but-2-enedioic acid; ethyl 4-[4-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)carbonyl-pyrrolidin-3-yl]ethyl]-4-phenyl-piperidin-4-yl]carbonylpiperazin-1-yl]butanoate

Systemtic Name: (E)-but-2-enedioic acid; ethyl 4-[4-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)carbonyl-pyrrolidin-3-yl]ethyl]-4-phenyl-piperidin-4-yl]carbonylpiperazin-1-yl]butanoate Openeye Name: ethyl 4-[4-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenyl-piperidine-4-carbonyl]piperazin-1-yl]butanoate; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-[4-[[1-[2-[(3R)-3-(3,4-dichlorophenyl)-1-[oxo-(3,4,5-trimethoxyphenyl)methyl]-3-pyrrolidinyl]ethyl]-4-phenyl-4-piperidinyl]-oxomethyl]-1-piperazinyl]butanoic acid ethyl ester IUPAC Name: (E)-but-2-enedioic acid; ethyl 4-[4-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carbonyl]piperazin-1-yl]butanoate Traditional Name: 4-[4-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenyl-isonipecotoyl]piperazino]butyric acid ethyl ester; fumaric acid Formula: C48H60Cl2N4O11 MolecularWeight: 939.9162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1CCN(CC1)C(=O)C2(CCN(CC2)CCC3(CCN(C3)C(=O)C4=CC(=C(C(=C4)OC)OC)OC)C5=CC(=C(C=C5)Cl)Cl)C6=CC=CC=C6.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)CCCN1CCN(CC1)C(=O)C2(CCN(CC2)CC[C@@]3(CCN(C3)C(=O)C4=CC(=C(C(=C4)OC)OC)OC)C5=CC(=C(C=C5)Cl)Cl)C6=CC=CC=C6.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C44H56Cl2N4O7.C4H4O4/c1-5-57-39(51)12-9-19-47-24-26-49(27-25-47)42(53)44(33-10-7-6-8-11-33)17-21-48(22-18-44)20-15-43(34-13-14-35(45)36(46)30-34)16-23-50(31-43)41(52)32-28-37(54-2)40(56-4)38(29-32)55-3;5-3(6)1-2-4(7)8/h6-8,10-11,13-14,28-30H,5,9,12,15-27,31H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t43-;/m0./s1