methyl 4-[[(3S)-1-(phenylcarbamoyl)piperidin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[(3S)-1-(phenylcarbamoyl)piperidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[(3S)-1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[(3S)-1-[anilino(oxo)methyl]-3-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3S)-1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3S)-1-(phenylcarbamoyl)nipecotoyl]amino]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)NC(=O)C2CCCN(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2CCCN(C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4/c1-28-20(26)15-9-11-18(12-10-15)22-19(25)16-6-5-13-24(14-16)21(27)23-17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-14H2,1H3,(H,22,25)(H,23,27)/t16-/m0/s1