[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate

Systemtic Name: [2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate Openeye Name: [2-[[(1S)-1-(4-isopropylphenyl)-2-methyl-propyl]amino]-2-oxo-ethyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [2-keto-2-[[(1S)-2-methyl-1-p-cumenyl-propyl]amino]ethyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C(C)C)NC(=O)COC(=O)C2=CC=CN2C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@H](C(C)C)NC(=O)COC(=O)C2=CC=CN2C

InChI

InChI=1S/C21H28N2O3/c1-14(2)16-8-10-17(11-9-16)20(15(3)4)22-19(24)13-26-21(25)18-7-6-12-23(18)5/h6-12,14-15,20H,13H2,1-5H3,(H,22,24)/t20-/m0/s1