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

Systemtic Name: 2-[3-[(E)-2-cyano-3-oxidanylidene-3-[(2-phenoxyphenyl)amino]prop-1-enyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[(E)-2-cyano-3-oxo-3-(2-phenoxyanilino)prop-1-enyl]indol-1-yl]acetic acid CAS Name: 2-[3-[(E)-2-cyano-3-oxo-3-(2-phenoxyanilino)prop-1-enyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-[(E)-2-cyano-3-oxo-3-(2-phenoxyanilino)prop-1-enyl]indol-1-yl]acetic acid Traditional Name: 2-[3-[(E)-2-cyano-3-keto-3-(2-phenoxyanilino)prop-1-enyl]indol-1-yl]acetic acid Formula: C26H19N3O4 MolecularWeight: 437.44676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C(=CC3=CN(C4=CC=CC=C43)CC(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)/C(=C/C3=CN(C4=CC=CC=C43)CC(=O)O)/C#N

InChI

InChI=1S/C26H19N3O4/c27-15-18(14-19-16-29(17-25(30)31)23-12-6-4-10-21(19)23)26(32)28-22-11-5-7-13-24(22)33-20-8-2-1-3-9-20/h1-14,16H,17H2,(H,28,32)(H,30,31)/b18-14+