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

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid [(1S)-2-keto-1-methyl-2-[[(2S)-2-phenylbutyl]amino]ethyl] ester Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)OC(=O)C1=C(N(C(=C1)C)CC)C)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3/c1-6-18(19-11-9-8-10-12-19)14-23-21(25)17(5)27-22(26)20-13-15(3)24(7-2)16(20)4/h8-13,17-18H,6-7,14H2,1-5H3,(H,23,25)/t17-,18+/m0/s1