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

Systemtic Name: methyl 4-[[[(3S)-6-oxidanylidene-1-(3-phenylpropyl)piperidin-3-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[(3S)-6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[oxo-[(3S)-6-oxo-1-(3-phenylpropyl)-3-piperidinyl]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(3S)-6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[(3S)-6-keto-1-(3-phenylpropyl)nipecotoyl]amino]methyl]benzoic acid methyl ester Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2CCC(=O)N(C2)CCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)[C@H]2CCC(=O)N(C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C24H28N2O4/c1-30-24(29)20-11-9-19(10-12-20)16-25-23(28)21-13-14-22(27)26(17-21)15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12,21H,5,8,13-17H2,1H3,(H,25,28)/t21-/m0/s1