[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=C(N(C(=C1)C)CC2=CC=CC=C2)C

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=C(N(C(=C1)C)CC2=CC=CC=C2)C

InChI

InChI=1S/C20H26N2O3/c1-5-11-21-19(23)16(4)25-20(24)18-12-14(2)22(15(18)3)13-17-9-7-6-8-10-17/h6-10,12,16H,5,11,13H2,1-4H3,(H,21,23)/t16-/m0/s1