(3S)-3-(4-tert-butylphenyl)-3-(5-chloranyl-1H-indol-3-yl)propanoate

Systemtic Name: (3S)-3-(4-tert-butylphenyl)-3-(5-chloranyl-1H-indol-3-yl)propanoate Openeye Name: (3S)-3-(4-tert-butylphenyl)-3-(5-chloro-1H-indol-3-yl)propanoate CAS Name: (3S)-3-(4-tert-butylphenyl)-3-(5-chloro-1H-indol-3-yl)propanoate IUPAC Name: (3S)-3-(4-tert-butylphenyl)-3-(5-chloro-1H-indol-3-yl)propanoate Traditional Name: (3S)-3-(4-tert-butylphenyl)-3-(5-chloro-1H-indol-3-yl)propionate Formula: C21H21ClNO2- MolecularWeight: 354.84994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(CC(=O)[O-])C2=CNC3=C2C=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@H](CC(=O)[O-])C2=CNC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C21H22ClNO2/c1-21(2,3)14-6-4-13(5-7-14)16(11-20(24)25)18-12-23-19-9-8-15(22)10-17(18)19/h4-10,12,16,23H,11H2,1-3H3,(H,24,25)/p-1/t16-/m0/s1