tert-butyl 1-(2-diethylaminoethylcarbamoyl)-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 1-(2-diethylaminoethylcarbamoyl)-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6-benzyloxy-1-(2-diethylaminoethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[(2-diethylaminoethylamino)-oxomethyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(2-diethylaminoethylcarbamoyl)-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-benzoxy-1-(2-diethylaminoethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C28H39N3O4 MolecularWeight: 481.62696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39N3O4/c1-6-30(7-2)18-16-29-26(32)25-24-14-13-23(34-20-21-11-9-8-10-12-21)19-22(24)15-17-31(25)27(33)35-28(3,4)5/h8-14,19,25H,6-7,15-18,20H2,1-5H3,(H,29,32)