[(3R,5S)-5-[oxidanyl(diphenyl)methyl]-1-pyridin-2-ylcarbonyl-pyrrolidin-3-yl] 3-methylbutanoate

Systemtic Name: [(3R,5S)-5-[oxidanyl(diphenyl)methyl]-1-pyridin-2-ylcarbonyl-pyrrolidin-3-yl] 3-methylbutanoate Openeye Name: [(3R,5S)-5-[hydroxy(diphenyl)methyl]-1-(pyridine-2-carbonyl)pyrrolidin-3-yl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [(3R,5S)-5-[hydroxy(diphenyl)methyl]-1-[oxo(2-pyridinyl)methyl]-3-pyrrolidinyl] ester IUPAC Name: [(3R,5S)-5-[hydroxy(diphenyl)methyl]-1-(pyridine-2-carbonyl)pyrrolidin-3-yl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [(3R,5S)-5-[hydroxy(diphenyl)methyl]-1-picolinoyl-pyrrolidin-3-yl] ester Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC1CC(N(C1)C(=O)C2=CC=CC=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

Isomeric SMILES

CC(C)CC(=O)O[C@@H]1C[C@H](N(C1)C(=O)C2=CC=CC=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C28H30N2O4/c1-20(2)17-26(31)34-23-18-25(30(19-23)27(32)24-15-9-10-16-29-24)28(33,21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-16,20,23,25,33H,17-19H2,1-2H3/t23-,25+/m1/s1