(8-phenethyl-8-azabicyclo[4.3.1]decan-10-yl) 4-chloranylbenzoate

Systemtic Name: (8-phenethyl-8-azabicyclo[4.3.1]decan-10-yl) 4-chloranylbenzoate Openeye Name: (8-phenethyl-8-azabicyclo[4.3.1]decan-10-yl) 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid (8-phenethyl-8-azabicyclo[4.3.1]decan-10-yl) ester IUPAC Name: (8-phenethyl-8-azabicyclo[4.3.1]decan-10-yl) 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid (8-phenethyl-8-azabicyclo[4.3.1]decan-10-yl) ester Formula: C24H28ClNO2 MolecularWeight: 397.93762

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2CN(CC(C1)C2OC(=O)C3=CC=C(C=C3)Cl)CCC4=CC=CC=C4

Isomeric SMILES

C1CCC2CN(CC(C1)C2OC(=O)C3=CC=C(C=C3)Cl)CCC4=CC=CC=C4

InChI

InChI=1S/C24H28ClNO2/c25-22-12-10-19(11-13-22)24(27)28-23-20-8-4-5-9-21(23)17-26(16-20)15-14-18-6-2-1-3-7-18/h1-3,6-7,10-13,20-21,23H,4-5,8-9,14-17H2