tert-butyl 3-cyclohexyl-1-methyl-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-cyclohexyl-1-methyl-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-cyclohexyl-1-methyl-1H-isoquinoline-2-carboxylate CAS Name: 3-cyclohexyl-1-methyl-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-cyclohexyl-1-methyl-1H-isoquinoline-2-carboxylate Traditional Name: 3-cyclohexyl-1-methyl-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C21H29NO2 MolecularWeight: 327.46046

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2C=C(N1C(=O)OC(C)(C)C)C3CCCCC3

Isomeric SMILES

CC1C2=CC=CC=C2C=C(N1C(=O)OC(C)(C)C)C3CCCCC3

InChI

InChI=1S/C21H29NO2/c1-15-18-13-9-8-12-17(18)14-19(16-10-6-5-7-11-16)22(15)20(23)24-21(2,3)4/h8-9,12-16H,5-7,10-11H2,1-4H3