2-[4-[2-[[7-[2-[1-[2-(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonyloxyethyl]piperidin-4-yl]ethylamino]-7-oxidanylidene-heptanoyl]amino]ethyl]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-[4-[2-[[7-[2-[1-[2-(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonyloxyethyl]piperidin-4-yl]ethylamino]-7-oxidanylidene-heptanoyl]amino]ethyl]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-[2-[[7-[2-[1-[2-(4-amino-5-chloro-2-methoxy-benzoyl)oxyethyl]-4-piperidyl]ethylamino]-7-oxo-heptanoyl]amino]ethyl]-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-[2-[[7-[2-[1-[2-[(4-amino-5-chloro-2-methoxyphenyl)-oxomethoxy]ethyl]-4-piperidinyl]ethylamino]-1,7-dioxoheptyl]amino]ethyl]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-[2-[[7-[2-[1-[2-(4-amino-5-chloro-2-methoxybenzoyl)oxyethyl]piperidin-4-yl]ethylamino]-7-oxoheptanoyl]amino]ethyl]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-[2-[[7-[2-[1-[2-(4-amino-5-chloro-2-methoxy-benzoyl)oxyethyl]-4-piperidyl]ethylamino]-7-keto-heptanoyl]amino]ethyl]piperidino]ethyl ester Formula: C41H60Cl2N6O8 MolecularWeight: 835.8565

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)CCNC(=O)CCCCCC(=O)NCCC3CCN(CC3)CCOC(=O)C4=CC(=C(C=C4OC)N)Cl)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)CCNC(=O)CCCCCC(=O)NCCC3CCN(CC3)CCOC(=O)C4=CC(=C(C=C4OC)N)Cl)Cl)N

InChI

InChI=1S/C41H60Cl2N6O8/c1-54-36-26-34(44)32(42)24-30(36)40(52)56-22-20-48-16-10-28(11-17-48)8-14-46-38(50)6-4-3-5-7-39(51)47-15-9-29-12-18-49(19-13-29)21-23-57-41(53)31-25-33(43)35(45)27-37(31)55-2/h24-29H,3-23,44-45H2,1-2H3,(H,46,50)(H,47,51)