ethyl 3,5-dimethyl-4-(phenethylcarbamoyl)-1-(phenylmethyl)pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-(phenethylcarbamoyl)-1-(phenylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 1-benzyl-3,5-dimethyl-4-(phenethylcarbamoyl)pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[oxo-(phenethylamino)methyl]-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3,5-dimethyl-4-(phenethylcarbamoyl)pyrrole-2-carboxylate Traditional Name: 1-benzyl-3,5-dimethyl-4-(phenethylcarbamoyl)pyrrole-2-carboxylic acid ethyl ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)NCCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)NCCC3=CC=CC=C3)C

InChI

InChI=1S/C25H28N2O3/c1-4-30-25(29)23-18(2)22(19(3)27(23)17-21-13-9-6-10-14-21)24(28)26-16-15-20-11-7-5-8-12-20/h5-14H,4,15-17H2,1-3H3,(H,26,28)