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

Systemtic Name: tert-butyl 3-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6-benzyloxy-3-[2-(diisopropylamino)ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[[2-[di(propan-2-yl)amino]ethylamino]-oxomethyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-benzoxy-3-[2-(diisopropylamino)ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C30H43N3O4 MolecularWeight: 509.68012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCNC(=O)C1CC2=C(CN1C(=O)OC(C)(C)C)C=CC(=C2)OCC3=CC=CC=C3)C(C)C

Isomeric SMILES

CC(C)N(CCNC(=O)C1CC2=C(CN1C(=O)OC(C)(C)C)C=CC(=C2)OCC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C30H43N3O4/c1-21(2)32(22(3)4)16-15-31-28(34)27-18-25-17-26(36-20-23-11-9-8-10-12-23)14-13-24(25)19-33(27)29(35)37-30(5,6)7/h8-14,17,21-22,27H,15-16,18-20H2,1-7H3,(H,31,34)