4-[(Z)-[4-ethoxycarbonyl-5-methyl-1-(2-methylpropyl)-2-oxidanylidene-pyrrol-3-ylidene]methyl]benzoic acid

Systemtic Name: 4-[(Z)-[4-ethoxycarbonyl-5-methyl-1-(2-methylpropyl)-2-oxidanylidene-pyrrol-3-ylidene]methyl]benzoic acid Openeye Name: 4-[(Z)-(4-ethoxycarbonyl-1-isobutyl-5-methyl-2-oxo-pyrrol-3-ylidene)methyl]benzoic acid CAS Name: 4-[(Z)-[4-ethoxycarbonyl-5-methyl-1-(2-methylpropyl)-2-oxo-3-pyrrolylidene]methyl]benzoic acid IUPAC Name: 4-[(Z)-[4-ethoxycarbonyl-5-methyl-1-(2-methylpropyl)-2-oxopyrrol-3-ylidene]methyl]benzoic acid Traditional Name: 4-[(Z)-(4-carbethoxy-1-isobutyl-2-keto-5-methyl-2-pyrrolin-3-ylidene)methyl]benzoic acid Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)C1=CC2=CC=C(C=C2)C(=O)O)CC(C)C)C

Isomeric SMILES

CCOC(=O)C\1=C(N(C(=O)/C1=C\C2=CC=C(C=C2)C(=O)O)CC(C)C)C

InChI

InChI=1S/C20H23NO5/c1-5-26-20(25)17-13(4)21(11-12(2)3)18(22)16(17)10-14-6-8-15(9-7-14)19(23)24/h6-10,12H,5,11H2,1-4H3,(H,23,24)/b16-10-