[(3S,5S)-1-(4-phenylbutanoyl)-5-pyrrolidin-1-ylcarbonyl-pyrrolidin-3-yl] benzoate

Systemtic Name: [(3S,5S)-1-(4-phenylbutanoyl)-5-pyrrolidin-1-ylcarbonyl-pyrrolidin-3-yl] benzoate Openeye Name: [(3S,5S)-1-(4-phenylbutanoyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl] benzoate CAS Name: benzoic acid [(3S,5S)-1-(1-oxo-4-phenylbutyl)-5-[oxo(1-pyrrolidinyl)methyl]-3-pyrrolidinyl] ester IUPAC Name: [(3S,5S)-1-(4-phenylbutanoyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl] benzoate Traditional Name: benzoic acid [(3S,5S)-1-(4-phenylbutanoyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl] ester Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CC(CN2C(=O)CCCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H]2C[C@@H](CN2C(=O)CCCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H30N2O4/c29-24(15-9-12-20-10-3-1-4-11-20)28-19-22(32-26(31)21-13-5-2-6-14-21)18-23(28)25(30)27-16-7-8-17-27/h1-6,10-11,13-14,22-23H,7-9,12,15-19H2/t22-,23-/m0/s1