ethyl 2,4-dimethyl-5-[[3-methylbutanoyl-(phenylmethyl)amino]methyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[[3-methylbutanoyl-(phenylmethyl)amino]methyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[[benzyl(3-methylbutanoyl)amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[(3-methyl-1-oxobutyl)-(phenylmethyl)amino]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[benzyl(3-methylbutanoyl)amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[benzyl(isovaleryl)amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)CN(CC2=CC=CC=C2)C(=O)CC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)CN(CC2=CC=CC=C2)C(=O)CC(C)C)C

InChI

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