[(2R)-2-[(2S)-5-oxidanylidene-2-[(1R)-1-phenylazanyloctyl]-2H-pyrrol-1-yl]-2-phenyl-ethyl] benzoate

Systemtic Name: [(2R)-2-[(2S)-5-oxidanylidene-2-[(1R)-1-phenylazanyloctyl]-2H-pyrrol-1-yl]-2-phenyl-ethyl] benzoate Openeye Name: [(2R)-2-[(2S)-2-[(1R)-1-anilinooctyl]-5-oxo-2H-pyrrol-1-yl]-2-phenyl-ethyl] benzoate CAS Name: benzoic acid [(2R)-2-[(2S)-2-[(1R)-1-anilinooctyl]-5-oxo-2H-pyrrol-1-yl]-2-phenylethyl] ester IUPAC Name: [(2R)-2-[(2S)-2-[(1R)-1-anilinooctyl]-5-oxo-2H-pyrrol-1-yl]-2-phenylethyl] benzoate Traditional Name: benzoic acid [(2R)-2-[(2S)-2-[(1R)-1-anilinooctyl]-5-keto-3-pyrrolin-1-yl]-2-phenyl-ethyl] ester Formula: C33H38N2O3 MolecularWeight: 510.66642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C1C=CC(=O)N1C(COC(=O)C2=CC=CC=C2)C3=CC=CC=C3)NC4=CC=CC=C4

Isomeric SMILES

CCCCCCC[C@H]([C@@H]1C=CC(=O)N1[C@@H](COC(=O)C2=CC=CC=C2)C3=CC=CC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C33H38N2O3/c1-2-3-4-5-15-22-29(34-28-20-13-8-14-21-28)30-23-24-32(36)35(30)31(26-16-9-6-10-17-26)25-38-33(37)27-18-11-7-12-19-27/h6-14,16-21,23-24,29-31,34H,2-5,15,22,25H2,1H3/t29-,30+,31+/m1/s1