[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] anthracene-9-carboxylate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] anthracene-9-carboxylate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C25H21NO3 MolecularWeight: 383.43914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42

InChI

InChI=1S/C25H21NO3/c1-16-11-13-20(14-12-16)26-24(27)17(2)29-25(28)23-21-9-5-3-7-18(21)15-19-8-4-6-10-22(19)23/h3-15,17H,1-2H3,(H,26,27)/t17-/m0/s1