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

Systemtic Name: 3-methylbutan-2-yl 1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: 1,2-dimethylpropyl 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 3-methylbutan-2-yl ester IUPAC Name: 3-methylbutan-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 1,2-dimethylpropyl ester Formula: C31H45N3O4 MolecularWeight: 523.7067

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)OC(=O)N1CCC2=C(C1C(=O)NCCN(C(C)C)C(C)C)C=CC(=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C)OC(=O)N1CCC2=C(C1C(=O)NCCN(C(C)C)C(C)C)C=CC(=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C31H45N3O4/c1-21(2)24(7)38-31(36)34-17-15-26-19-27(37-20-25-11-9-8-10-12-25)13-14-28(26)29(34)30(35)32-16-18-33(22(3)4)23(5)6/h8-14,19,21-24,29H,15-18,20H2,1-7H3,(H,32,35)