[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-benzo[e][1]benzofuran-1-ylethanoate

Systemtic Name: [(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-benzo[e][1]benzofuran-1-ylethanoate Openeye Name: [(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 2-benzo[e]benzofuran-1-ylacetate CAS Name: 2-(1-benzo[e]benzofuranyl)acetic acid [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate Traditional Name: 2-benzo[e]benzofuran-1-ylacetic acid [(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C24H21NO4 MolecularWeight: 387.42784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)OC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C24H21NO4/c1-15-6-5-8-19(12-15)25-24(27)16(2)29-22(26)13-18-14-28-21-11-10-17-7-3-4-9-20(17)23(18)21/h3-12,14,16H,13H2,1-2H3,(H,25,27)/t16-/m0/s1