[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate

Systemtic Name: [(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate Openeye Name: [(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] indane-5-carboxylate CAS Name: 2,3-dihydro-1H-indene-5-carboxylic acid [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate Traditional Name: indane-5-carboxylic acid [(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C20H21NO3 MolecularWeight: 323.38564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C2=CC3=C(CCC3)C=C2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)OC(=O)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C20H21NO3/c1-13-5-3-8-18(11-13)21-19(22)14(2)24-20(23)17-10-9-15-6-4-7-16(15)12-17/h3,5,8-12,14H,4,6-7H2,1-2H3,(H,21,22)/t14-/m0/s1