2-[(5-chloranyl-2-methoxy-phenyl)methylamino]-3-phenyl-4-azabicyclo[3.2.1]octane-6-carboxylic acid

Systemtic Name: 2-[(5-chloranyl-2-methoxy-phenyl)methylamino]-3-phenyl-4-azabicyclo[3.2.1]octane-6-carboxylic acid Openeye Name: 2-[(5-chloro-2-methoxy-phenyl)methylamino]-3-phenyl-4-azabicyclo[3.2.1]octane-6-carboxylic acid CAS Name: 2-[(5-chloro-2-methoxyphenyl)methylamino]-3-phenyl-4-azabicyclo[3.2.1]octane-6-carboxylic acid IUPAC Name: 2-[(5-chloro-2-methoxyphenyl)methylamino]-3-phenyl-4-azabicyclo[3.2.1]octane-6-carboxylic acid Traditional Name: 2-[(5-chloro-2-methoxy-benzyl)amino]-3-phenyl-4-azabicyclo[3.2.1]octane-6-carboxylic acid Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CNC2C3CC(C(C3)NC2C4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CNC2C3CC(C(C3)NC2C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H25ClN2O3/c1-28-19-8-7-16(23)9-15(19)12-24-20-14-10-17(22(26)27)18(11-14)25-21(20)13-5-3-2-4-6-13/h2-9,14,17-18,20-21,24-25H,10-12H2,1H3,(H,26,27)