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

Systemtic Name: 2-cyanopropan-2-yl 1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: (1-cyano-1-methyl-ethyl) 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-cyanopropan-2-yl ester IUPAC Name: 2-cyanopropan-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 (1-cyano-1-methyl-ethyl) ester Formula: C30H40N4O4 MolecularWeight: 520.663

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H40N4O4/c1-21(2)33(22(3)4)17-15-32-28(35)27-26-13-12-25(37-19-23-10-8-7-9-11-23)18-24(26)14-16-34(27)29(36)38-30(5,6)20-31/h7-13,18,21-22,27H,14-17,19H2,1-6H3,(H,32,35)