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

Systemtic Name: tert-butyl 1-[2-[di(propan-2-yl)amino]ethyl-methyl-carbamoyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6-benzyloxy-1-[2-(diisopropylamino)ethyl-methyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[[2-[di(propan-2-yl)amino]ethyl-methylamino]-oxomethyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-[di(propan-2-yl)amino]ethyl-methylcarbamoyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-benzoxy-1-[2-(diisopropylamino)ethyl-methyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C31H45N3O4 MolecularWeight: 523.7067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H45N3O4/c1-22(2)33(23(3)4)19-18-32(8)29(35)28-27-15-14-26(37-21-24-12-10-9-11-13-24)20-25(27)16-17-34(28)30(36)38-31(5,6)7/h9-15,20,22-23,28H,16-19,21H2,1-8H3