[2-[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]-2-keto-ethyl] ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(C)C)NC(=O)COC(=O)C2=CC(=CN2)C(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C(C)C)NC(=O)COC(=O)C2=CC(=CN2)C(=O)C

InChI

InChI=1S/C21H26N2O4/c1-5-15-6-8-16(9-7-15)20(13(2)3)23-19(25)12-27-21(26)18-10-17(11-22-18)14(4)24/h6-11,13,20,22H,5,12H2,1-4H3,(H,23,25)/t20-/m0/s1