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

Systemtic Name: ethyl 1-[3-(butan-2-ylamino)-3-oxidanylidene-propyl]-5-(4-methoxyphenyl)-2-methyl-pyrrole-3-carboxylate Openeye Name: ethyl 5-(4-methoxyphenyl)-2-methyl-1-[3-oxo-3-(sec-butylamino)propyl]pyrrole-3-carboxylate CAS Name: 1-[3-(butan-2-ylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-2-methyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(butan-2-ylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxylate Traditional Name: 1-[3-keto-3-(sec-butylamino)propyl]-5-(4-methoxyphenyl)-2-methyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4/c1-6-15(3)23-21(25)12-13-24-16(4)19(22(26)28-7-2)14-20(24)17-8-10-18(27-5)11-9-17/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,23,25)