methyl 4-[[[(3S)-6-oxidanylidene-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[(3S)-6-oxidanylidene-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[(3S)-6-oxo-1-(2-pyridylmethyl)piperidine-3-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[oxo-[(3S)-6-oxo-1-(2-pyridinylmethyl)-3-piperidinyl]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(3S)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[(3S)-6-keto-1-(2-pyridylmethyl)nipecotoyl]amino]methyl]benzoic acid methyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2CCC(=O)N(C2)CC3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)[C@H]2CCC(=O)N(C2)CC3=CC=CC=N3

InChI

InChI=1S/C21H23N3O4/c1-28-21(27)16-7-5-15(6-8-16)12-23-20(26)17-9-10-19(25)24(13-17)14-18-4-2-3-11-22-18/h2-8,11,17H,9-10,12-14H2,1H3,(H,23,26)/t17-/m0/s1