ethyl 2-methyl-1-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-5-(4-methylphenyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 2-methyl-1-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-5-(4-methylphenyl)pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-(isopentylamino)-2-oxo-ethyl]-2-methyl-5-(p-tolyl)pyrrole-3-carboxylate CAS Name: 2-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-5-(4-methylphenyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-5-(4-methylphenyl)pyrrole-3-carboxylate Traditional Name: 1-[2-(isoamylamino)-2-keto-ethyl]-2-methyl-5-(p-tolyl)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(N(C(=C1)C2=CC=C(C=C2)C)CC(=O)NCCC(C)C)C

Isomeric SMILES

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

InChI

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