[9-methyl-7-(phenylmethyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl] 4-chloranylbenzoate

Systemtic Name: [9-methyl-7-(phenylmethyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl] 4-chloranylbenzoate Openeye Name: (7-benzyl-9-methyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [9-methyl-7-(phenylmethyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl] ester IUPAC Name: (7-benzyl-9-methyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid (7-benzyl-9-methyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl) ester Formula: C22H24ClNO3 MolecularWeight: 385.88386

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CN(CC1COC2)CC3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1(C2CN(CC1COC2)CC3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H24ClNO3/c1-22(27-21(25)17-7-9-20(23)10-8-17)18-12-24(13-19(22)15-26-14-18)11-16-5-3-2-4-6-16/h2-10,18-19H,11-15H2,1H3