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

Systemtic Name: 2-[4-[2-[[5-[2-[1-[2-(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonyloxyethyl]piperidin-4-yl]ethylamino]-5-oxidanylidene-pentanoyl]amino]ethyl]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-[2-[[5-[2-[1-[2-(4-amino-5-chloro-2-methoxy-benzoyl)oxyethyl]-4-piperidyl]ethylamino]-5-oxo-pentanoyl]amino]ethyl]-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-[2-[[5-[2-[1-[2-[(4-amino-5-chloro-2-methoxyphenyl)-oxomethoxy]ethyl]-4-piperidinyl]ethylamino]-1,5-dioxopentyl]amino]ethyl]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-[2-[[5-[2-[1-[2-(4-amino-5-chloro-2-methoxybenzoyl)oxyethyl]piperidin-4-yl]ethylamino]-5-oxopentanoyl]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-[[5-[2-[1-[2-(4-amino-5-chloro-2-methoxy-benzoyl)oxyethyl]-4-piperidyl]ethylamino]-5-keto-pentanoyl]amino]ethyl]piperidino]ethyl ester Formula: C39H56Cl2N6O8 MolecularWeight: 807.80334

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C39H56Cl2N6O8/c1-52-34-24-32(42)30(40)22-28(34)38(50)54-20-18-46-14-8-26(9-15-46)6-12-44-36(48)4-3-5-37(49)45-13-7-27-10-16-47(17-11-27)19-21-55-39(51)29-23-31(41)33(43)25-35(29)53-2/h22-27H,3-21,42-43H2,1-2H3,(H,44,48)(H,45,49)