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

Systemtic Name: ethyl 1-[3-(butan-2-ylamino)-3-oxidanylidene-propyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-1-[3-oxo-3-(sec-butylamino)propyl]-5-phenyl-pyrrole-3-carboxylate CAS Name: 1-[3-(butan-2-ylamino)-3-oxopropyl]-2-methyl-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(butan-2-ylamino)-3-oxopropyl]-2-methyl-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[3-keto-3-(sec-butylamino)propyl]-2-methyl-5-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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