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

Systemtic Name: 4-[(1-cyclopentyl-4-methoxycarbonyl-5-methyl-2-oxidanylidene-pyrrol-3-ylidene)methyl]benzoic acid Openeye Name: 4-[(1-cyclopentyl-4-methoxycarbonyl-5-methyl-2-oxo-pyrrol-3-ylidene)methyl]benzoic acid CAS Name: 4-[(1-cyclopentyl-4-methoxycarbonyl-5-methyl-2-oxo-3-pyrrolylidene)methyl]benzoic acid IUPAC Name: 4-[(1-cyclopentyl-4-methoxycarbonyl-5-methyl-2-oxopyrrol-3-ylidene)methyl]benzoic acid Traditional Name: 4-[(4-carbomethoxy-1-cyclopentyl-2-keto-5-methyl-2-pyrrolin-3-ylidene)methyl]benzoic acid Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC=C(C=C2)C(=O)O)C(=O)N1C3CCCC3)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC2=CC=C(C=C2)C(=O)O)C(=O)N1C3CCCC3)C(=O)OC

InChI

InChI=1S/C20H21NO5/c1-12-17(20(25)26-2)16(18(22)21(12)15-5-3-4-6-15)11-13-7-9-14(10-8-13)19(23)24/h7-11,15H,3-6H2,1-2H3,(H,23,24)