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

Systemtic Name: methyl 1-cyclopentyl-2-methyl-5-oxidanylidene-4-[(3-phenoxyphenyl)methylidene]pyrrole-3-carboxylate Openeye Name: methyl 1-cyclopentyl-2-methyl-5-oxo-4-[(3-phenoxyphenyl)methylene]pyrrole-3-carboxylate CAS Name: 1-cyclopentyl-2-methyl-5-oxo-4-[(3-phenoxyphenyl)methylidene]-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-cyclopentyl-2-methyl-5-oxo-4-[(3-phenoxyphenyl)methylidene]pyrrole-3-carboxylate Traditional Name: 1-cyclopentyl-5-keto-2-methyl-4-(3-phenoxybenzylidene)-2-pyrroline-3-carboxylic acid methyl ester Formula: C25H25NO4 MolecularWeight: 403.4703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)N1C4CCCC4)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)N1C4CCCC4)C(=O)OC

InChI

InChI=1S/C25H25NO4/c1-17-23(25(28)29-2)22(24(27)26(17)19-10-6-7-11-19)16-18-9-8-14-21(15-18)30-20-12-4-3-5-13-20/h3-5,8-9,12-16,19H,6-7,10-11H2,1-2H3