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

Systemtic Name: ethyl 1-[3-(butan-2-ylamino)-3-oxidanylidene-propyl]-2-methyl-5-(4-methylphenyl)pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-1-[3-oxo-3-(sec-butylamino)propyl]-5-(p-tolyl)pyrrole-3-carboxylate CAS Name: 1-[3-(butan-2-ylamino)-3-oxopropyl]-2-methyl-5-(4-methylphenyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(butan-2-ylamino)-3-oxopropyl]-2-methyl-5-(4-methylphenyl)pyrrole-3-carboxylate Traditional Name: 1-[3-keto-3-(sec-butylamino)propyl]-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:

CCC(C)NC(=O)CCN1C(=C(C=C1C2=CC=C(C=C2)C)C(=O)OCC)C

Isomeric SMILES

CCC(C)NC(=O)CCN1C(=C(C=C1C2=CC=C(C=C2)C)C(=O)OCC)C

InChI

InChI=1S/C22H30N2O3/c1-6-16(4)23-21(25)12-13-24-17(5)19(22(26)27-7-2)14-20(24)18-10-8-15(3)9-11-18/h8-11,14,16H,6-7,12-13H2,1-5H3,(H,23,25)