ethyl 2-methyl-1-[3-(phenethylcarbamoyl)phenyl]-5-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-methyl-1-[3-(phenethylcarbamoyl)phenyl]-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-1-[3-(phenethylcarbamoyl)phenyl]-5-phenyl-pyrrole-3-carboxylate CAS Name: 2-methyl-1-[3-[oxo-(phenethylamino)methyl]phenyl]-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-1-[3-(phenethylcarbamoyl)phenyl]-5-phenylpyrrole-3-carboxylate Traditional Name: 2-methyl-1-[3-(phenethylcarbamoyl)phenyl]-5-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C29H28N2O3 MolecularWeight: 452.54422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)C3=CC=CC(=C3)C(=O)NCCC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)C3=CC=CC(=C3)C(=O)NCCC4=CC=CC=C4)C

InChI

InChI=1S/C29H28N2O3/c1-3-34-29(33)26-20-27(23-13-8-5-9-14-23)31(21(26)2)25-16-10-15-24(19-25)28(32)30-18-17-22-11-6-4-7-12-22/h4-16,19-20H,3,17-18H2,1-2H3,(H,30,32)