(3S)-3-(4-tert-butylphenyl)-3-(1H-indol-3-yl)propanoate

Systemtic Name: (3S)-3-(4-tert-butylphenyl)-3-(1H-indol-3-yl)propanoate Openeye Name: (3S)-3-(4-tert-butylphenyl)-3-(1H-indol-3-yl)propanoate CAS Name: (3S)-3-(4-tert-butylphenyl)-3-(1H-indol-3-yl)propanoate IUPAC Name: (3S)-3-(4-tert-butylphenyl)-3-(1H-indol-3-yl)propanoate Traditional Name: (3S)-3-(4-tert-butylphenyl)-3-(1H-indol-3-yl)propionate Formula: C21H22NO2- MolecularWeight: 320.40488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO2/c1-21(2,3)15-10-8-14(9-11-15)17(12-20(23)24)18-13-22-19-7-5-4-6-16(18)19/h4-11,13,17,22H,12H2,1-3H3,(H,23,24)/p-1/t17-/m0/s1