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

Systemtic Name: tert-butyl 1-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6-benzyloxy-1-[2-[isopropyl(methyl)amino]ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[[2-[methyl(propan-2-yl)amino]ethylamino]-oxomethyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-benzoxy-1-[2-[isopropyl(methyl)amino]ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C28H39N3O4 MolecularWeight: 481.62696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39N3O4/c1-20(2)30(6)17-15-29-26(32)25-24-13-12-23(34-19-21-10-8-7-9-11-21)18-22(24)14-16-31(25)27(33)35-28(3,4)5/h7-13,18,20,25H,14-17,19H2,1-6H3,(H,29,32)