tert-butyl 6-cyclohexyloxy-1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 6-cyclohexyloxy-1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6-(cyclohexoxy)-1-[2-(diisopropylamino)ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-cyclohexyloxy-1-[[2-[di(propan-2-yl)amino]ethylamino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-cyclohexyloxy-1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-(cyclohexoxy)-1-[2-(diisopropylamino)ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C29H47N3O4 MolecularWeight: 501.70118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCNC(=O)C1C2=C(CCN1C(=O)OC(C)(C)C)C=C(C=C2)OC3CCCCC3)C(C)C

Isomeric SMILES

CC(C)N(CCNC(=O)C1C2=C(CCN1C(=O)OC(C)(C)C)C=C(C=C2)OC3CCCCC3)C(C)C

InChI

InChI=1S/C29H47N3O4/c1-20(2)31(21(3)4)18-16-30-27(33)26-25-14-13-24(35-23-11-9-8-10-12-23)19-22(25)15-17-32(26)28(34)36-29(5,6)7/h13-14,19-21,23,26H,8-12,15-18H2,1-7H3,(H,30,33)