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

Systemtic Name: ethyl 3,5-dimethyl-4-(3-methylbutylcarbamoyl)-1-(phenylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 1-benzyl-4-(isopentylcarbamoyl)-3,5-dimethyl-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[(3-methylbutylamino)-oxomethyl]-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3,5-dimethyl-4-(3-methylbutylcarbamoyl)pyrrole-2-carboxylate Traditional Name: 1-benzyl-4-(isoamylcarbamoyl)-3,5-dimethyl-pyrrole-2-carboxylic acid ethyl ester Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)NCCC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)NCCC(C)C)C

InChI

InChI=1S/C22H30N2O3/c1-6-27-22(26)20-16(4)19(21(25)23-13-12-15(2)3)17(5)24(20)14-18-10-8-7-9-11-18/h7-11,15H,6,12-14H2,1-5H3,(H,23,25)