[2-[(2-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate

Systemtic Name: [2-[(2-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate Openeye Name: [2-oxo-2-(2-sec-butylanilino)ethyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [2-(2-butan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-butan-2-ylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [2-keto-2-(2-sec-butylanilino)ethyl] ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC=CN2C

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC=CN2C

InChI

InChI=1S/C18H22N2O3/c1-4-13(2)14-8-5-6-9-15(14)19-17(21)12-23-18(22)16-10-7-11-20(16)3/h5-11,13H,4,12H2,1-3H3,(H,19,21)