tert-butyl 5-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylate

Systemtic Name: tert-butyl 5-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylate Openeye Name: tert-butyl 5-[(E)-3-methoxy-3-oxo-prop-1-enyl]-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylate CAS Name: 5-[(E)-3-methoxy-3-oxoprop-1-enyl]-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(E)-3-methoxy-3-oxoprop-1-enyl]-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylate Traditional Name: 5-[(E)-3-keto-3-methoxy-prop-1-enyl]-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylic acid tert-butyl ester Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC2=CC=CC(=C21)C=CC(=O)OC)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(CN(CC2=CC=CC(=C21)/C=C/C(=O)OC)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C20H27NO4/c1-19(2,3)25-18(23)21-12-15-9-7-8-14(10-11-16(22)24-6)17(15)20(4,5)13-21/h7-11H,12-13H2,1-6H3/b11-10+