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

Systemtic Name: [(3S,5S)-1-(4-phenylbutanoyl)-5-pyrrolidin-1-ylcarbonyl-pyrrolidin-3-yl] ethanoate Openeye Name: [(3S,5S)-1-(4-phenylbutanoyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl] acetate CAS Name: acetic 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] acetate Traditional Name: acetic acid [(3S,5S)-1-(4-phenylbutanoyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl] ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(N(C1)C(=O)CCCC2=CC=CC=C2)C(=O)N3CCCC3

Isomeric SMILES

CC(=O)O[C@H]1C[C@H](N(C1)C(=O)CCCC2=CC=CC=C2)C(=O)N3CCCC3

InChI

InChI=1S/C21H28N2O4/c1-16(24)27-18-14-19(21(26)22-12-5-6-13-22)23(15-18)20(25)11-7-10-17-8-3-2-4-9-17/h2-4,8-9,18-19H,5-7,10-15H2,1H3/t18-,19-/m0/s1