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

Systemtic Name: 2-[3-[(E)-2-cyano-3-[(3-methoxycarbonylphenyl)amino]-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[(E)-2-cyano-3-(3-methoxycarbonylanilino)-3-oxo-prop-1-enyl]indol-1-yl]acetic acid CAS Name: 2-[3-[(E)-2-cyano-3-(3-methoxycarbonylanilino)-3-oxoprop-1-enyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-[(E)-2-cyano-3-(3-methoxycarbonylanilino)-3-oxoprop-1-enyl]indol-1-yl]acetic acid Traditional Name: 2-[3-[(E)-3-(3-carbomethoxyanilino)-2-cyano-3-keto-prop-1-enyl]indol-1-yl]acetic acid Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O5/c1-30-22(29)14-5-4-6-17(10-14)24-21(28)15(11-23)9-16-12-25(13-20(26)27)19-8-3-2-7-18(16)19/h2-10,12H,13H2,1H3,(H,24,28)(H,26,27)/b15-9+