[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl] (E)-3-(2-methylphenyl)prop-2-enoate

Systemtic Name: [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl] (E)-3-(2-methylphenyl)prop-2-enoate Openeye Name: [2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl] (E)-3-(o-tolyl)prop-2-enoate CAS Name: (E)-3-(2-methylphenyl)-2-propenoic acid [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(o-tolyl)acrylic acid [2-keto-2-[(2S)-2-methylindolin-1-yl]ethyl] ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)COC(=O)C=CC3=CC=CC=C3C

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)COC(=O)/C=C/C3=CC=CC=C3C

InChI

InChI=1S/C21H21NO3/c1-15-7-3-4-8-17(15)11-12-21(24)25-14-20(23)22-16(2)13-18-9-5-6-10-19(18)22/h3-12,16H,13-14H2,1-2H3/b12-11+/t16-/m0/s1