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

Systemtic Name: ethyl 5-[[butanoyl-(phenylmethyl)amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[[benzyl(butanoyl)amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[1-oxobutyl-(phenylmethyl)amino]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[benzyl(butanoyl)amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[benzyl(butyryl)amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(CC1=CC=CC=C1)CC2=C(C(=C(N2)C)C(=O)OCC)C

Isomeric SMILES

CCCC(=O)N(CC1=CC=CC=C1)CC2=C(C(=C(N2)C)C(=O)OCC)C

InChI

InChI=1S/C21H28N2O3/c1-5-10-19(24)23(13-17-11-8-7-9-12-17)14-18-15(3)20(16(4)22-18)21(25)26-6-2/h7-9,11-12,22H,5-6,10,13-14H2,1-4H3