2-[(E)-1-(1-methylpyrrol-2-yl)-3-oxidanylidene-3-(phenethylamino)prop-1-en-2-yl]benzoic acid

Systemtic Name: 2-[(E)-1-(1-methylpyrrol-2-yl)-3-oxidanylidene-3-(phenethylamino)prop-1-en-2-yl]benzoic acid Openeye Name: 2-[(E)-2-(1-methylpyrrol-2-yl)-1-(phenethylcarbamoyl)vinyl]benzoic acid CAS Name: 2-[(E)-1-(1-methyl-2-pyrrolyl)-3-oxo-3-(phenethylamino)prop-1-en-2-yl]benzoic acid IUPAC Name: 2-[(E)-1-(1-methylpyrrol-2-yl)-3-oxo-3-(phenethylamino)prop-1-en-2-yl]benzoic acid Traditional Name: 2-[(E)-2-(1-methylpyrrol-2-yl)-1-(phenethylcarbamoyl)vinyl]benzoic acid Formula: C23H22N2O3 MolecularWeight: 374.43238

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C=C(C2=CC=CC=C2C(=O)O)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CN1C=CC=C1/C=C(\C2=CC=CC=C2C(=O)O)/C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O3/c1-25-15-7-10-18(25)16-21(19-11-5-6-12-20(19)23(27)28)22(26)24-14-13-17-8-3-2-4-9-17/h2-12,15-16H,13-14H2,1H3,(H,24,26)(H,27,28)/b21-16+