methyl 4-[(S)-[(1R)-2-oxidanylidenecyclohexyl]-phenylazanyl-methyl]benzoate

Systemtic Name: methyl 4-[(S)-[(1R)-2-oxidanylidenecyclohexyl]-phenylazanyl-methyl]benzoate Openeye Name: methyl 4-[(S)-anilino-[(1R)-2-oxocyclohexyl]methyl]benzoate CAS Name: 4-[(S)-anilino-[(1R)-2-oxocyclohexyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(S)-anilino-[(1R)-2-oxocyclohexyl]methyl]benzoate Traditional Name: 4-[(S)-anilino-[(1R)-2-ketocyclohexyl]methyl]benzoic acid methyl ester Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(C2CCCCC2=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)[C@H]([C@H]2CCCCC2=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H23NO3/c1-25-21(24)16-13-11-15(12-14-16)20(18-9-5-6-10-19(18)23)22-17-7-3-2-4-8-17/h2-4,7-8,11-14,18,20,22H,5-6,9-10H2,1H3/t18-,20+/m0/s1