(3S)-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanoate

Systemtic Name: (3S)-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanoate Openeye Name: (3S)-3-(1H-indol-3-yl)-3-(p-tolyl)propanoate CAS Name: (3S)-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanoate IUPAC Name: (3S)-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanoate Traditional Name: (3S)-3-(1H-indol-3-yl)-3-(p-tolyl)propionate Formula: C18H16NO2- MolecularWeight: 278.32514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO2/c1-12-6-8-13(9-7-12)15(10-18(20)21)16-11-19-17-5-3-2-4-14(16)17/h2-9,11,15,19H,10H2,1H3,(H,20,21)/p-1/t15-/m0/s1