[4-cyano-1-(dimethylaminomethyl)-4-phenyl-cycloheptyl] 2-methoxybenzoate

Systemtic Name: [4-cyano-1-(dimethylaminomethyl)-4-phenyl-cycloheptyl] 2-methoxybenzoate Openeye Name: [4-cyano-1-(dimethylaminomethyl)-4-phenyl-cycloheptyl] 2-methoxybenzoate CAS Name: 2-methoxybenzoic acid [4-cyano-1-(dimethylaminomethyl)-4-phenylcycloheptyl] ester IUPAC Name: [4-cyano-1-(dimethylaminomethyl)-4-phenylcycloheptyl] 2-methoxybenzoate Traditional Name: 2-methoxybenzoic acid [4-cyano-1-(dimethylaminomethyl)-4-phenyl-cycloheptyl] ester Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1(CCCC(CC1)(C#N)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CN(C)CC1(CCCC(CC1)(C#N)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C25H30N2O3/c1-27(2)19-25(30-23(28)21-12-7-8-13-22(21)29-3)15-9-14-24(18-26,16-17-25)20-10-5-4-6-11-20/h4-8,10-13H,9,14-17,19H2,1-3H3