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

Systemtic Name: 2-[3-[(E)-2-cyano-3-[(3-ethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[(E)-2-cyano-3-(3-ethylanilino)-3-oxo-prop-1-enyl]indol-1-yl]acetic acid CAS Name: 2-[3-[(E)-2-cyano-3-(3-ethylanilino)-3-oxoprop-1-enyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-[(E)-2-cyano-3-(3-ethylanilino)-3-oxoprop-1-enyl]indol-1-yl]acetic acid Traditional Name: 2-[3-[(E)-2-cyano-3-(3-ethylanilino)-3-keto-prop-1-enyl]indol-1-yl]acetic acid Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)O)C#N

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)O)/C#N

InChI

InChI=1S/C22H19N3O3/c1-2-15-6-5-7-18(10-15)24-22(28)16(12-23)11-17-13-25(14-21(26)27)20-9-4-3-8-19(17)20/h3-11,13H,2,14H2,1H3,(H,24,28)(H,26,27)/b16-11+