2-[3-[(E)-3-[(4-tert-butylphenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(E)-3-[(4-tert-butylphenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[(E)-3-(4-tert-butylanilino)-2-cyano-3-oxo-prop-1-enyl]indol-1-yl]acetic acid CAS Name: 2-[3-[(E)-3-(4-tert-butylanilino)-2-cyano-3-oxoprop-1-enyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-[(E)-3-(4-tert-butylanilino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]acetic acid Traditional Name: 2-[3-[(E)-3-(4-tert-butylanilino)-2-cyano-3-keto-prop-1-enyl]indol-1-yl]acetic acid Formula: C24H23N3O3 MolecularWeight: 401.45772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)O)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)O)/C#N

InChI

InChI=1S/C24H23N3O3/c1-24(2,3)18-8-10-19(11-9-18)26-23(30)16(13-25)12-17-14-27(15-22(28)29)21-7-5-4-6-20(17)21/h4-12,14H,15H2,1-3H3,(H,26,30)(H,28,29)/b16-12+