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

Systemtic Name: [9-methyl-7-(3-phenylpropyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl] 4-chloranylbenzoate Openeye Name: [9-methyl-7-(3-phenylpropyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [9-methyl-7-(3-phenylpropyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl] ester IUPAC Name: [9-methyl-7-(3-phenylpropyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [9-methyl-7-(3-phenylpropyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl] ester Formula: C24H28ClNO3 MolecularWeight: 413.93702

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CN(CC1COC2)CCCC3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1(C2CN(CC1COC2)CCCC3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H28ClNO3/c1-24(29-23(27)19-9-11-22(25)12-10-19)20-14-26(15-21(24)17-28-16-20)13-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12,20-21H,5,8,13-17H2,1H3