2-[3-[(E)-2-cyano-3-oxidanylidene-3-[(2-propan-2-ylphenyl)amino]prop-1-enyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(E)-2-cyano-3-oxidanylidene-3-[(2-propan-2-ylphenyl)amino]prop-1-enyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[(E)-2-cyano-3-(2-isopropylanilino)-3-oxo-prop-1-enyl]indol-1-yl]acetic acid CAS Name: 2-[3-[(E)-2-cyano-3-oxo-3-(2-propan-2-ylanilino)prop-1-enyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-[(E)-2-cyano-3-oxo-3-(2-propan-2-ylanilino)prop-1-enyl]indol-1-yl]acetic acid Traditional Name: 2-[3-[(E)-2-cyano-3-(2-isopropylanilino)-3-keto-prop-1-enyl]indol-1-yl]acetic acid Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)O)C#N

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)O)/C#N

InChI

InChI=1S/C23H21N3O3/c1-15(2)18-7-3-5-9-20(18)25-23(29)16(12-24)11-17-13-26(14-22(27)28)21-10-6-4-8-19(17)21/h3-11,13,15H,14H2,1-2H3,(H,25,29)(H,27,28)/b16-11+