methyl (4Z)-4-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylidene]-2-methyl-5-oxidanylidene-1-phenethyl-pyrrole-3-carboxylate

Systemtic Name: methyl (4Z)-4-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylidene]-2-methyl-5-oxidanylidene-1-phenethyl-pyrrole-3-carboxylate Openeye Name: methyl (4Z)-4-[[2,5-dimethyl-1-(m-tolyl)pyrrol-3-yl]methylene]-2-methyl-5-oxo-1-phenethyl-pyrrole-3-carboxylate CAS Name: (4Z)-4-[[2,5-dimethyl-1-(3-methylphenyl)-3-pyrrolyl]methylidene]-2-methyl-5-oxo-1-phenethyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4Z)-4-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylidene]-2-methyl-5-oxo-1-phenethylpyrrole-3-carboxylate Traditional Name: (4Z)-4-[[2,5-dimethyl-1-(m-tolyl)pyrrol-3-yl]methylene]-5-keto-2-methyl-1-phenethyl-2-pyrroline-3-carboxylic acid methyl ester Formula: C29H30N2O3 MolecularWeight: 454.5601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=C2C)C=C3C(=C(N(C3=O)CCC4=CC=CC=C4)C)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=C2C)/C=C\3/C(=C(N(C3=O)CCC4=CC=CC=C4)C)C(=O)OC)C

InChI

InChI=1S/C29H30N2O3/c1-19-10-9-13-25(16-19)31-20(2)17-24(21(31)3)18-26-27(29(33)34-5)22(4)30(28(26)32)15-14-23-11-7-6-8-12-23/h6-13,16-18H,14-15H2,1-5H3/b26-18-