[(3S,5R)-1-(2-tert-butylphenyl)-5-(methoxymethyl)-2-oxidanylidene-pyrrolidin-3-yl] benzoate

Systemtic Name: [(3S,5R)-1-(2-tert-butylphenyl)-5-(methoxymethyl)-2-oxidanylidene-pyrrolidin-3-yl] benzoate Openeye Name: [(3S,5R)-1-(2-tert-butylphenyl)-5-(methoxymethyl)-2-oxo-pyrrolidin-3-yl] benzoate CAS Name: benzoic acid [(3S,5R)-1-(2-tert-butylphenyl)-5-(methoxymethyl)-2-oxo-3-pyrrolidinyl] ester IUPAC Name: [(3S,5R)-1-(2-tert-butylphenyl)-5-(methoxymethyl)-2-oxopyrrolidin-3-yl] benzoate Traditional Name: benzoic acid [(3S,5R)-1-(2-tert-butylphenyl)-2-keto-5-(methoxymethyl)pyrrolidin-3-yl] ester Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1N2C(CC(C2=O)OC(=O)C3=CC=CC=C3)COC

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1N2[C@H](C[C@@H](C2=O)OC(=O)C3=CC=CC=C3)COC

InChI

InChI=1S/C23H27NO4/c1-23(2,3)18-12-8-9-13-19(18)24-17(15-27-4)14-20(21(24)25)28-22(26)16-10-6-5-7-11-16/h5-13,17,20H,14-15H2,1-4H3/t17-,20+/m1/s1