methyl 1-cyclopentyl-2-methyl-5-oxidanylidene-4-[(3-phenylmethoxyphenyl)methylidene]pyrrole-3-carboxylate

Systemtic Name: methyl 1-cyclopentyl-2-methyl-5-oxidanylidene-4-[(3-phenylmethoxyphenyl)methylidene]pyrrole-3-carboxylate Openeye Name: methyl 4-[(3-benzyloxyphenyl)methylene]-1-cyclopentyl-2-methyl-5-oxo-pyrrole-3-carboxylate CAS Name: 1-cyclopentyl-2-methyl-5-oxo-4-[(3-phenylmethoxyphenyl)methylidene]-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-cyclopentyl-2-methyl-5-oxo-4-[(3-phenylmethoxyphenyl)methylidene]pyrrole-3-carboxylate Traditional Name: 4-(3-benzoxybenzylidene)-1-cyclopentyl-5-keto-2-methyl-2-pyrroline-3-carboxylic acid methyl ester Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)N1C4CCCC4)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)N1C4CCCC4)C(=O)OC

InChI

InChI=1S/C26H27NO4/c1-18-24(26(29)30-2)23(25(28)27(18)21-12-6-7-13-21)16-20-11-8-14-22(15-20)31-17-19-9-4-3-5-10-19/h3-5,8-11,14-16,21H,6-7,12-13,17H2,1-2H3