tert-butyl 3-[(2-methylcyclohexyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-[(2-methylcyclohexyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[(2-methylcyclohexyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[[(2-methylcyclohexyl)amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2-methylcyclohexyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[(2-methylcyclohexyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C22H32N2O3 MolecularWeight: 372.50108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C

Isomeric SMILES

CC1CCCCC1NC(=O)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C

InChI

InChI=1S/C22H32N2O3/c1-15-9-5-8-12-18(15)23-20(25)19-13-16-10-6-7-11-17(16)14-24(19)21(26)27-22(2,3)4/h6-7,10-11,15,18-19H,5,8-9,12-14H2,1-4H3,(H,23,25)