tert-butyl 7-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 7-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 7-[(E)-3-ethoxy-3-oxo-prop-1-enyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-[(E)-3-ethoxy-3-keto-prop-1-enyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C19H25NO4 MolecularWeight: 331.4061

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC2=C(CCN(C2)C(=O)OC(C)(C)C)C=C1

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO4/c1-5-23-17(21)9-7-14-6-8-15-10-11-20(13-16(15)12-14)18(22)24-19(2,3)4/h6-9,12H,5,10-11,13H2,1-4H3/b9-7+