methyl 4-[(1-cyclohexylpiperidin-3-yl)methyl-(pyridin-3-ylmethyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(1-cyclohexylpiperidin-3-yl)methyl-(pyridin-3-ylmethyl)amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(1-cyclohexyl-3-piperidyl)methyl-(3-pyridylmethyl)amino]-4-oxo-butanoate CAS Name: 4-[(1-cyclohexyl-3-piperidinyl)methyl-(3-pyridinylmethyl)amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(1-cyclohexylpiperidin-3-yl)methyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoate Traditional Name: 4-[(1-cyclohexyl-3-piperidyl)methyl-(3-pyridylmethyl)amino]-4-keto-butyric acid methyl ester Formula: C23H35N3O3 MolecularWeight: 401.5423

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)N(CC1CCCN(C1)C2CCCCC2)CC3=CN=CC=C3

Isomeric SMILES

COC(=O)CCC(=O)N(CC1CCCN(C1)C2CCCCC2)CC3=CN=CC=C3

InChI

InChI=1S/C23H35N3O3/c1-29-23(28)12-11-22(27)26(16-19-7-5-13-24-15-19)18-20-8-6-14-25(17-20)21-9-3-2-4-10-21/h5,7,13,15,20-21H,2-4,6,8-12,14,16-18H2,1H3