methyl (4Z)-1-cyclohexyl-2-methyl-4-[(3-methylphenyl)methylidene]-5-oxidanylidene-pyrrole-3-carboxylate

Systemtic Name: methyl (4Z)-1-cyclohexyl-2-methyl-4-[(3-methylphenyl)methylidene]-5-oxidanylidene-pyrrole-3-carboxylate Openeye Name: methyl (4Z)-1-cyclohexyl-2-methyl-4-(m-tolylmethylene)-5-oxo-pyrrole-3-carboxylate CAS Name: (4Z)-1-cyclohexyl-2-methyl-4-[(3-methylphenyl)methylidene]-5-oxo-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4Z)-1-cyclohexyl-2-methyl-4-[(3-methylphenyl)methylidene]-5-oxopyrrole-3-carboxylate Traditional Name: (4Z)-1-cyclohexyl-5-keto-2-methyl-4-(3-methylbenzylidene)-2-pyrroline-3-carboxylic acid methyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=C2C(=C(N(C2=O)C3CCCCC3)C)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)/C=C\2/C(=C(N(C2=O)C3CCCCC3)C)C(=O)OC

InChI

InChI=1S/C21H25NO3/c1-14-8-7-9-16(12-14)13-18-19(21(24)25-3)15(2)22(20(18)23)17-10-5-4-6-11-17/h7-9,12-13,17H,4-6,10-11H2,1-3H3/b18-13-