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

Systemtic Name: (2-methyl-3-oxidanylidene-butan-2-yl) 1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: (1,1-dimethyl-2-oxo-propyl) 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-methyl-3-oxobutan-2-yl) ester IUPAC Name: (2-methyl-3-oxobutan-2-yl) 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 (2-keto-1,1-dimethyl-propyl) ester Formula: C31H43N3O5 MolecularWeight: 537.69022

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H43N3O5/c1-21(2)33(22(3)4)18-16-32-29(36)28-27-14-13-26(38-20-24-11-9-8-10-12-24)19-25(27)15-17-34(28)30(37)39-31(6,7)23(5)35/h8-14,19,21-22,28H,15-18,20H2,1-7H3,(H,32,36)