tert-butyl 3-cyclohexyl-1,1-dimethyl-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-cyclohexyl-1,1-dimethyl-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-cyclohexyl-1,1-dimethyl-isoquinoline-2-carboxylate CAS Name: 3-cyclohexyl-1,1-dimethyl-2-isoquinolinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-cyclohexyl-1,1-dimethylisoquinoline-2-carboxylate Traditional Name: 3-cyclohexyl-1,1-dimethyl-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C22H31NO2 MolecularWeight: 341.48704

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C=C(N1C(=O)OC(C)(C)C)C3CCCCC3)C

Isomeric SMILES

CC1(C2=CC=CC=C2C=C(N1C(=O)OC(C)(C)C)C3CCCCC3)C

InChI

InChI=1S/C22H31NO2/c1-21(2,3)25-20(24)23-19(16-11-7-6-8-12-16)15-17-13-9-10-14-18(17)22(23,4)5/h9-10,13-16H,6-8,11-12H2,1-5H3