[2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 3-acetamidobenzoate

Systemtic Name: [2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 3-acetamidobenzoate Openeye Name: [2-[[(1S)-1-(o-tolyl)ethyl]amino]-2-oxo-ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-2-oxoethyl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [2-keto-2-[[(1S)-1-(o-tolyl)ethyl]amino]ethyl] ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C

Isomeric SMILES

CC1=CC=CC=C1[C@H](C)NC(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C

InChI

InChI=1S/C20H22N2O4/c1-13-7-4-5-10-18(13)14(2)21-19(24)12-26-20(25)16-8-6-9-17(11-16)22-15(3)23/h4-11,14H,12H2,1-3H3,(H,21,24)(H,22,23)/t14-/m0/s1