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

Systemtic Name: methyl 2-methyl-5-oxidanylidene-1-phenethyl-4-[(4-phenylmethoxyphenyl)methylidene]pyrrole-3-carboxylate Openeye Name: methyl 4-[(4-benzyloxyphenyl)methylene]-2-methyl-5-oxo-1-phenethyl-pyrrole-3-carboxylate CAS Name: 2-methyl-5-oxo-1-phenethyl-4-[(4-phenylmethoxyphenyl)methylidene]-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-oxo-1-phenethyl-4-[(4-phenylmethoxyphenyl)methylidene]pyrrole-3-carboxylate Traditional Name: 4-(4-benzoxybenzylidene)-5-keto-2-methyl-1-phenethyl-2-pyrroline-3-carboxylic acid methyl ester Formula: C29H27NO4 MolecularWeight: 453.52898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)N1CCC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)N1CCC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C29H27NO4/c1-21-27(29(32)33-2)26(28(31)30(21)18-17-22-9-5-3-6-10-22)19-23-13-15-25(16-14-23)34-20-24-11-7-4-8-12-24/h3-16,19H,17-18,20H2,1-2H3