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

Systemtic Name: tert-butyl 1-butyl-3-cyclohexyl-1-methyl-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-butyl-3-cyclohexyl-1-methyl-isoquinoline-2-carboxylate CAS Name: 1-butyl-3-cyclohexyl-1-methyl-2-isoquinolinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-butyl-3-cyclohexyl-1-methylisoquinoline-2-carboxylate Traditional Name: 1-butyl-3-cyclohexyl-1-methyl-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C25H37NO2 MolecularWeight: 383.56678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2=CC=CC=C2C=C(N1C(=O)OC(C)(C)C)C3CCCCC3)C

Isomeric SMILES

CCCCC1(C2=CC=CC=C2C=C(N1C(=O)OC(C)(C)C)C3CCCCC3)C

InChI

InChI=1S/C25H37NO2/c1-6-7-17-25(5)21-16-12-11-15-20(21)18-22(19-13-9-8-10-14-19)26(25)23(27)28-24(2,3)4/h11-12,15-16,18-19H,6-10,13-14,17H2,1-5H3