2-[(Z)-1-(1-methylpyrrol-2-yl)-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-en-2-yl]benzoic acid

Systemtic Name: 2-[(Z)-1-(1-methylpyrrol-2-yl)-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-en-2-yl]benzoic acid Openeye Name: 2-[(Z)-1-(benzylcarbamoyl)-2-(1-methylpyrrol-2-yl)vinyl]benzoic acid CAS Name: 2-[(Z)-1-(1-methyl-2-pyrrolyl)-3-oxo-3-[(phenylmethyl)amino]prop-1-en-2-yl]benzoic acid IUPAC Name: 2-[(Z)-3-(benzylamino)-1-(1-methylpyrrol-2-yl)-3-oxoprop-1-en-2-yl]benzoic acid Traditional Name: 2-[(Z)-1-(benzylcarbamoyl)-2-(1-methylpyrrol-2-yl)vinyl]benzoic acid Formula: C22H20N2O3 MolecularWeight: 360.4058

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C=C(C2=CC=CC=C2C(=O)O)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CN1C=CC=C1/C=C(/C2=CC=CC=C2C(=O)O)\C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O3/c1-24-13-7-10-17(24)14-20(18-11-5-6-12-19(18)22(26)27)21(25)23-15-16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,23,25)(H,26,27)/b20-14-