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

Systemtic Name: tert-butyl 1-(2-dimethylaminoethylcarbamoyl)-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6-benzyloxy-1-(2-dimethylaminoethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[(2-dimethylaminoethylamino)-oxomethyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(2-dimethylaminoethylcarbamoyl)-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-benzoxy-1-(2-dimethylaminoethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C26H35N3O4 MolecularWeight: 453.5738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1C(=O)NCCN(C)C)C=CC(=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1C(=O)NCCN(C)C)C=CC(=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C26H35N3O4/c1-26(2,3)33-25(31)29-15-13-20-17-21(32-18-19-9-7-6-8-10-19)11-12-22(20)23(29)24(30)27-14-16-28(4)5/h6-12,17,23H,13-16,18H2,1-5H3,(H,27,30)