[2-oxidanylidene-2-[[(1S)-1-phenylbutyl]amino]ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(1S)-1-phenylbutyl]amino]ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-keto-2-[[(1S)-1-phenylbutyl]amino]ethyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)C2=C(N(C(=C2)C)CC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3/c1-5-10-19(17-11-8-7-9-12-17)22-20(24)14-26-21(25)18-13-15(3)23(6-2)16(18)4/h7-9,11-13,19H,5-6,10,14H2,1-4H3,(H,22,24)/t19-/m0/s1