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

Systemtic Name: 4-[(Z)-(4-methoxycarbonyl-5-methyl-2-oxidanylidene-1-propyl-pyrrol-3-ylidene)methyl]benzoic acid Openeye Name: 4-[(Z)-(4-methoxycarbonyl-5-methyl-2-oxo-1-propyl-pyrrol-3-ylidene)methyl]benzoic acid CAS Name: 4-[(Z)-(4-methoxycarbonyl-5-methyl-2-oxo-1-propyl-3-pyrrolylidene)methyl]benzoic acid IUPAC Name: 4-[(Z)-(4-methoxycarbonyl-5-methyl-2-oxo-1-propylpyrrol-3-ylidene)methyl]benzoic acid Traditional Name: 4-[(Z)-(4-carbomethoxy-2-keto-5-methyl-1-propyl-2-pyrrolin-3-ylidene)methyl]benzoic acid Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=CC2=CC=C(C=C2)C(=O)O)C1=O)C(=O)OC)C

Isomeric SMILES

CCCN1C(=C(/C(=C/C2=CC=C(C=C2)C(=O)O)/C1=O)C(=O)OC)C

InChI

InChI=1S/C18H19NO5/c1-4-9-19-11(2)15(18(23)24-3)14(16(19)20)10-12-5-7-13(8-6-12)17(21)22/h5-8,10H,4,9H2,1-3H3,(H,21,22)/b14-10-