[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-[(3-methylphenyl)carbonylamino]benzoate

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-[(3-methylphenyl)carbonylamino]benzoate Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 2-[(3-methylbenzoyl)amino]benzoate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate Traditional Name: 2-(m-toluoylamino)benzoic acid [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)OCC(=O)NC(C)(C#N)C3CC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)OCC(=O)N[C@](C)(C#N)C3CC3

InChI

InChI=1S/C23H23N3O4/c1-15-6-5-7-16(12-15)21(28)25-19-9-4-3-8-18(19)22(29)30-13-20(27)26-23(2,14-24)17-10-11-17/h3-9,12,17H,10-11,13H2,1-2H3,(H,25,28)(H,26,27)/t23-/m1/s1