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

Systemtic Name: [(3S,5S)-1-(4-phenylbutanoyl)-5-pyrrolidin-1-ylcarbonyl-pyrrolidin-3-yl] 4-chloranylbenzoate Openeye Name: [(3S,5S)-1-(4-phenylbutanoyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic 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] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(3S,5S)-1-(4-phenylbutanoyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl] ester Formula: C26H29ClN2O4 MolecularWeight: 468.97246

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H29ClN2O4/c27-21-13-11-20(12-14-21)26(32)33-22-17-23(25(31)28-15-4-5-16-28)29(18-22)24(30)10-6-9-19-7-2-1-3-8-19/h1-3,7-8,11-14,22-23H,4-6,9-10,15-18H2/t22-,23-/m0/s1