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

Systemtic Name: tert-butyl 1-(2-ethoxy-2-oxidanylidene-ethyl)-6-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-(2-ethoxy-2-oxo-ethyl)-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-(2-ethoxy-2-oxoethyl)-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(2-ethoxy-2-oxoethyl)-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(2-ethoxy-2-keto-ethyl)-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C18H25NO5 MolecularWeight: 335.3948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C2=C(CCN1C(=O)OC(C)(C)C)C=C(C=C2)O

Isomeric SMILES

CCOC(=O)CC1C2=C(CCN1C(=O)OC(C)(C)C)C=C(C=C2)O

InChI

InChI=1S/C18H25NO5/c1-5-23-16(21)11-15-14-7-6-13(20)10-12(14)8-9-19(15)17(22)24-18(2,3)4/h6-7,10,15,20H,5,8-9,11H2,1-4H3