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

Systemtic Name: (2-azanyl-3-methoxy-3-oxidanylidene-propyl) 1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: (2-amino-3-methoxy-3-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-amino-3-methoxy-3-oxopropyl) ester IUPAC Name: (2-amino-3-methoxy-3-oxopropyl) 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-amino-3-keto-3-methoxy-propyl) ester Formula: C30H42N4O6 MolecularWeight: 554.67768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H42N4O6/c1-20(2)33(21(3)4)16-14-32-28(35)27-25-12-11-24(39-18-22-9-7-6-8-10-22)17-23(25)13-15-34(27)30(37)40-19-26(31)29(36)38-5/h6-12,17,20-21,26-27H,13-16,18-19,31H2,1-5H3,(H,32,35)