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

Systemtic Name: 2-[3-[(E)-2-cyano-3-oxidanylidene-3-[(2-propylphenyl)amino]prop-1-enyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[(E)-2-cyano-3-oxo-3-(2-propylanilino)prop-1-enyl]indol-1-yl]acetic acid CAS Name: 2-[3-[(E)-2-cyano-3-oxo-3-(2-propylanilino)prop-1-enyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-[(E)-2-cyano-3-oxo-3-(2-propylanilino)prop-1-enyl]indol-1-yl]acetic acid Traditional Name: 2-[3-[(E)-2-cyano-3-keto-3-(2-propylanilino)prop-1-enyl]indol-1-yl]acetic acid Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)O)C#N

Isomeric SMILES

CCCC1=CC=CC=C1NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)O)/C#N

InChI

InChI=1S/C23H21N3O3/c1-2-7-16-8-3-5-10-20(16)25-23(29)17(13-24)12-18-14-26(15-22(27)28)21-11-6-4-9-19(18)21/h3-6,8-12,14H,2,7,15H2,1H3,(H,25,29)(H,27,28)/b17-12+