2-[3-[(E)-3-[(4-butylphenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(E)-3-[(4-butylphenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[(E)-3-(4-butylanilino)-2-cyano-3-oxo-prop-1-enyl]indol-1-yl]acetic acid CAS Name: 2-[3-[(E)-3-(4-butylanilino)-2-cyano-3-oxoprop-1-enyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-[(E)-3-(4-butylanilino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]acetic acid Traditional Name: 2-[3-[(E)-3-(4-butylanilino)-2-cyano-3-keto-prop-1-enyl]indol-1-yl]acetic acid Formula: C24H23N3O3 MolecularWeight: 401.45772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)O)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)O)/C#N

InChI

InChI=1S/C24H23N3O3/c1-2-3-6-17-9-11-20(12-10-17)26-24(30)18(14-25)13-19-15-27(16-23(28)29)22-8-5-4-7-21(19)22/h4-5,7-13,15H,2-3,6,16H2,1H3,(H,26,30)(H,28,29)/b18-13+