tert-butyl 3-cyclohexyl-1-methyl-1-(phenylmethyl)isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-cyclohexyl-1-methyl-1-(phenylmethyl)isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-benzyl-3-cyclohexyl-1-methyl-isoquinoline-2-carboxylate CAS Name: 3-cyclohexyl-1-methyl-1-(phenylmethyl)-2-isoquinolinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-benzyl-3-cyclohexyl-1-methylisoquinoline-2-carboxylate Traditional Name: 1-benzyl-3-cyclohexyl-1-methyl-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C28H35NO2 MolecularWeight: 417.583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C=C(N1C(=O)OC(C)(C)C)C3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

CC1(C2=CC=CC=C2C=C(N1C(=O)OC(C)(C)C)C3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H35NO2/c1-27(2,3)31-26(30)29-25(22-15-9-6-10-16-22)19-23-17-11-12-18-24(23)28(29,4)20-21-13-7-5-8-14-21/h5,7-8,11-14,17-19,22H,6,9-10,15-16,20H2,1-4H3