[4-[(1-methyl-4H-pyridin-3-yl)carbonylamino]cyclohexyl] 4-[4-[1,4-bis(chloranyl)butan-2-ylamino]phenyl]butanoate

Systemtic Name: [4-[(1-methyl-4H-pyridin-3-yl)carbonylamino]cyclohexyl] 4-[4-[1,4-bis(chloranyl)butan-2-ylamino]phenyl]butanoate Openeye Name: [4-[(1-methyl-4H-pyridine-3-carbonyl)amino]cyclohexyl] 4-[4-[[3-chloro-1-(chloromethyl)propyl]amino]phenyl]butanoate CAS Name: 4-[4-(1,4-dichlorobutan-2-ylamino)phenyl]butanoic acid [4-[[(1-methyl-4H-pyridin-3-yl)-oxomethyl]amino]cyclohexyl] ester IUPAC Name: [4-[(1-methyl-4H-pyridine-3-carbonyl)amino]cyclohexyl] 4-[4-(1,4-dichlorobutan-2-ylamino)phenyl]butanoate Traditional Name: 4-[4-[[3-chloro-1-(chloromethyl)propyl]amino]phenyl]butyric acid [4-[(1-methyl-4H-pyridine-3-carbonyl)amino]cyclohexyl] ester Formula: C27H37Cl2N3O3 MolecularWeight: 522.50698

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CCC(=C1)C(=O)NC2CCC(CC2)OC(=O)CCCC3=CC=C(C=C3)NC(CCCl)CCl

Isomeric SMILES

CN1C=CCC(=C1)C(=O)NC2CCC(CC2)OC(=O)CCCC3=CC=C(C=C3)NC(CCCl)CCl

InChI

InChI=1S/C27H37Cl2N3O3/c1-32-17-3-5-21(19-32)27(34)31-23-11-13-25(14-12-23)35-26(33)6-2-4-20-7-9-22(10-8-20)30-24(18-29)15-16-28/h3,7-10,17,19,23-25,30H,2,4-6,11-16,18H2,1H3,(H,31,34)