tert-butyl 4-[[1-[2-(4-cyanophenyl)ethyl]-3-oxidanyl-pyrrolidin-3-yl]methyl-methyl-amino]benzoate

Systemtic Name: tert-butyl 4-[[1-[2-(4-cyanophenyl)ethyl]-3-oxidanyl-pyrrolidin-3-yl]methyl-methyl-amino]benzoate Openeye Name: tert-butyl 4-[[1-[2-(4-cyanophenyl)ethyl]-3-hydroxy-pyrrolidin-3-yl]methyl-methyl-amino]benzoate CAS Name: 4-[[1-[2-(4-cyanophenyl)ethyl]-3-hydroxy-3-pyrrolidinyl]methyl-methylamino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[1-[2-(4-cyanophenyl)ethyl]-3-hydroxypyrrolidin-3-yl]methyl-methylamino]benzoate Traditional Name: 4-[[1-[2-(4-cyanophenyl)ethyl]-3-hydroxy-pyrrolidin-3-yl]methyl-methyl-amino]benzoic acid tert-butyl ester Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)N(C)CC2(CCN(C2)CCC3=CC=C(C=C3)C#N)O

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)N(C)CC2(CCN(C2)CCC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C26H33N3O3/c1-25(2,3)32-24(30)22-9-11-23(12-10-22)28(4)18-26(31)14-16-29(19-26)15-13-20-5-7-21(17-27)8-6-20/h5-12,31H,13-16,18-19H2,1-4H3