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

Systemtic Name: (phenylmethyl) 1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C33H41N3O4 MolecularWeight: 543.69634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCNC(=O)C1C2=C(CCN1C(=O)OCC3=CC=CC=C3)C=C(C=C2)OCC4=CC=CC=C4)C(C)C

Isomeric SMILES

CC(C)N(CCNC(=O)C1C2=C(CCN1C(=O)OCC3=CC=CC=C3)C=C(C=C2)OCC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C33H41N3O4/c1-24(2)35(25(3)4)20-18-34-32(37)31-30-16-15-29(39-22-26-11-7-5-8-12-26)21-28(30)17-19-36(31)33(38)40-23-27-13-9-6-10-14-27/h5-16,21,24-25,31H,17-20,22-23H2,1-4H3,(H,34,37)