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

Systemtic Name: ethyl 1-[3-(butan-2-ylcarbamoyl)phenyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-5-phenyl-1-[3-(sec-butylcarbamoyl)phenyl]pyrrole-3-carboxylate CAS Name: 1-[3-[(butan-2-ylamino)-oxomethyl]phenyl]-2-methyl-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(butan-2-ylcarbamoyl)phenyl]-2-methyl-5-phenylpyrrole-3-carboxylate Traditional Name: 2-methyl-5-phenyl-1-[3-(sec-butylcarbamoyl)phenyl]pyrrole-3-carboxylic acid ethyl ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC(=CC=C1)N2C(=C(C=C2C3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCC(C)NC(=O)C1=CC(=CC=C1)N2C(=C(C=C2C3=CC=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C25H28N2O3/c1-5-17(3)26-24(28)20-13-10-14-21(15-20)27-18(4)22(25(29)30-6-2)16-23(27)19-11-8-7-9-12-19/h7-17H,5-6H2,1-4H3,(H,26,28)