tert-butyl 7-[3-ethoxy-1,2-bis(oxidanyl)-3-oxidanylidene-propyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 7-[3-ethoxy-1,2-bis(oxidanyl)-3-oxidanylidene-propyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 7-(3-ethoxy-1,2-dihydroxy-3-oxo-propyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-(3-ethoxy-1,2-dihydroxy-3-keto-propyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C19H27NO6 MolecularWeight: 365.42078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC2=C(CCN(C2)C(=O)OC(C)(C)C)C=C1)O)O

Isomeric SMILES

CCOC(=O)C(C(C1=CC2=C(CCN(C2)C(=O)OC(C)(C)C)C=C1)O)O

InChI

InChI=1S/C19H27NO6/c1-5-25-17(23)16(22)15(21)13-7-6-12-8-9-20(11-14(12)10-13)18(24)26-19(2,3)4/h6-7,10,15-16,21-22H,5,8-9,11H2,1-4H3