(3S)-3-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)propanoate

Systemtic Name: (3S)-3-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)propanoate Openeye Name: (3S)-3-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)propanoate CAS Name: (3S)-3-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)propanoate IUPAC Name: (3S)-3-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)propanoate Traditional Name: (3S)-3-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)propionate Formula: C19H18NO2- MolecularWeight: 292.35172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(CC(=O)[O-])C2=CNC3=CC=CC=C32)C

Isomeric SMILES

CC1=CC(=C(C=C1)[C@H](CC(=O)[O-])C2=CNC3=CC=CC=C32)C

InChI

InChI=1S/C19H19NO2/c1-12-7-8-14(13(2)9-12)16(10-19(21)22)17-11-20-18-6-4-3-5-15(17)18/h3-9,11,16,20H,10H2,1-2H3,(H,21,22)/p-1/t16-/m0/s1