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

Systemtic Name: 2-[3-[(E)-2-cyano-3-[(2-ethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[(E)-2-cyano-3-(2-ethoxyanilino)-3-oxo-prop-1-enyl]indol-1-yl]acetic acid CAS Name: 2-[3-[(E)-2-cyano-3-(2-ethoxyanilino)-3-oxoprop-1-enyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-[(E)-2-cyano-3-(2-ethoxyanilino)-3-oxoprop-1-enyl]indol-1-yl]acetic acid Traditional Name: 2-[3-[(E)-2-cyano-3-keto-3-(o-phenetidino)prop-1-enyl]indol-1-yl]acetic acid Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)O)C#N

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)O)/C#N

InChI

InChI=1S/C22H19N3O4/c1-2-29-20-10-6-4-8-18(20)24-22(28)15(12-23)11-16-13-25(14-21(26)27)19-9-5-3-7-17(16)19/h3-11,13H,2,14H2,1H3,(H,24,28)(H,26,27)/b15-11+