methyl (3S,4S)-1-oxidanylidene-3-phenyl-2-prop-2-enyl-3,4-dihydroisoquinoline-4-carboxylate

Systemtic Name: methyl (3S,4S)-1-oxidanylidene-3-phenyl-2-prop-2-enyl-3,4-dihydroisoquinoline-4-carboxylate Openeye Name: methyl (3S,4S)-2-allyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylate CAS Name: (3S,4S)-1-oxo-3-phenyl-2-prop-2-enyl-3,4-dihydroisoquinoline-4-carboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-1-oxo-3-phenyl-2-prop-2-enyl-3,4-dihydroisoquinoline-4-carboxylate Traditional Name: (3S,4S)-2-allyl-1-keto-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid methyl ester Formula: C20H19NO3 MolecularWeight: 321.36976

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(N(C(=O)C2=CC=CC=C12)CC=C)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@H]1[C@H](N(C(=O)C2=CC=CC=C12)CC=C)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO3/c1-3-13-21-18(14-9-5-4-6-10-14)17(20(23)24-2)15-11-7-8-12-16(15)19(21)22/h3-12,17-18H,1,13H2,2H3/t17-,18+/m0/s1