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

Systemtic Name: methyl 4-[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(1-cyclopentyl-4-piperidyl)methyl-(3-pyridylmethyl)amino]-4-oxo-butanoate CAS Name: 4-[(1-cyclopentyl-4-piperidinyl)methyl-(3-pyridinylmethyl)amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoate Traditional Name: 4-[(1-cyclopentyl-4-piperidyl)methyl-(3-pyridylmethyl)amino]-4-keto-butyric acid methyl ester Formula: C22H33N3O3 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)N(CC1CCN(CC1)C2CCCC2)CC3=CN=CC=C3

Isomeric SMILES

COC(=O)CCC(=O)N(CC1CCN(CC1)C2CCCC2)CC3=CN=CC=C3

InChI

InChI=1S/C22H33N3O3/c1-28-22(27)9-8-21(26)25(17-19-5-4-12-23-15-19)16-18-10-13-24(14-11-18)20-6-2-3-7-20/h4-5,12,15,18,20H,2-3,6-11,13-14,16-17H2,1H3