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

Systemtic Name: (2,2-dimethyl-3-oxidanylidene-butyl) 1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: (2,2-dimethyl-3-oxo-butyl) 6-benzyloxy-1-[2-(diisopropylamino)ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[[2-[di(propan-2-yl)amino]ethylamino]-oxomethyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (2,2-dimethyl-3-oxobutyl) ester IUPAC Name: (2,2-dimethyl-3-oxobutyl) 1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-benzoxy-1-[2-(diisopropylamino)ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (3-keto-2,2-dimethyl-butyl) ester Formula: C32H45N3O5 MolecularWeight: 551.7168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCNC(=O)C1C2=C(CCN1C(=O)OCC(C)(C)C(=O)C)C=C(C=C2)OCC3=CC=CC=C3)C(C)C

Isomeric SMILES

CC(C)N(CCNC(=O)C1C2=C(CCN1C(=O)OCC(C)(C)C(=O)C)C=C(C=C2)OCC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C32H45N3O5/c1-22(2)34(23(3)4)18-16-33-30(37)29-28-14-13-27(39-20-25-11-9-8-10-12-25)19-26(28)15-17-35(29)31(38)40-21-32(6,7)24(5)36/h8-14,19,22-23,29H,15-18,20-21H2,1-7H3,(H,33,37)