tert-butyl 1-(2-ethoxy-2-oxidanylidene-ethyl)-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 1-(2-ethoxy-2-oxidanylidene-ethyl)-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6-benzyloxy-1-(2-ethoxy-2-oxo-ethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-(2-ethoxy-2-oxoethyl)-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(2-ethoxy-2-oxoethyl)-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-benzoxy-1-(2-ethoxy-2-keto-ethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C26H33NO6 MolecularWeight: 455.54332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C2=CC(=C(C=C2CCN1C(=O)OC(C)(C)C)OCC3=CC=CC=C3)OC

Isomeric SMILES

CCOC(=O)CC1C2=CC(=C(C=C2CCN1C(=O)OC(C)(C)C)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C26H33NO6/c1-6-31-24(28)16-21-20-15-22(30-5)23(32-17-18-10-8-7-9-11-18)14-19(20)12-13-27(21)25(29)33-26(2,3)4/h7-11,14-15,21H,6,12-13,16-17H2,1-5H3