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

Systemtic Name: 4-oxidanylbutyl 1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-6-phenoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: 4-hydroxybutyl 1-[2-(diisopropylamino)ethylcarbamoyl]-6-phenoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[[2-[di(propan-2-yl)amino]ethylamino]-oxomethyl]-6-phenoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid 4-hydroxybutyl ester IUPAC Name: 4-hydroxybutyl 1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-6-phenoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-[2-(diisopropylamino)ethylcarbamoyl]-6-phenoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid 4-hydroxybutyl ester Formula: C29H41N3O5 MolecularWeight: 511.65294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCNC(=O)C1C2=C(CCN1C(=O)OCCCCO)C=C(C=C2)OC3=CC=CC=C3)C(C)C

Isomeric SMILES

CC(C)N(CCNC(=O)C1C2=C(CCN1C(=O)OCCCCO)C=C(C=C2)OC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C29H41N3O5/c1-21(2)31(22(3)4)17-15-30-28(34)27-26-13-12-25(37-24-10-6-5-7-11-24)20-23(26)14-16-32(27)29(35)36-19-9-8-18-33/h5-7,10-13,20-22,27,33H,8-9,14-19H2,1-4H3,(H,30,34)