[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methyl 2-cyclohexyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid [1-[(1R)-1-phenylethyl]-3-pyrrolidinyl]methyl ester IUPAC Name: [1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid [1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methyl ester Formula: C27H35NO3 MolecularWeight: 421.5717

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCC(C2)COC(=O)C(C3CCCCC3)(C4=CC=CC=C4)O

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2CCC(C2)COC(=O)C(C3CCCCC3)(C4=CC=CC=C4)O

InChI

InChI=1S/C27H35NO3/c1-21(23-11-5-2-6-12-23)28-18-17-22(19-28)20-31-26(29)27(30,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-3,5-8,11-14,21-22,25,30H,4,9-10,15-20H2,1H3/t21-,22?,27?/m1/s1