4-[(E)-3-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-(5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)-3-keto-prop-1-enyl]benzoic acid Formula: C19H19NO5 MolecularWeight: 341.35786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)C=CC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)/C=C/C2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C19H19NO5/c1-4-25-19(24)17-11(2)16(12(3)20-17)15(21)10-7-13-5-8-14(9-6-13)18(22)23/h5-10,20H,4H2,1-3H3,(H,22,23)/b10-7+