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

Systemtic Name: methyl (3S,4S)-3-(2-bromophenyl)-1-oxidanylidene-2-prop-2-enyl-3,4-dihydroisoquinoline-4-carboxylate Openeye Name: methyl (3S,4S)-2-allyl-3-(2-bromophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate CAS Name: (3S,4S)-3-(2-bromophenyl)-1-oxo-2-prop-2-enyl-3,4-dihydroisoquinoline-4-carboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-3-(2-bromophenyl)-1-oxo-2-prop-2-enyl-3,4-dihydroisoquinoline-4-carboxylate Traditional Name: (3S,4S)-2-allyl-3-(2-bromophenyl)-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid methyl ester Formula: C20H18BrNO3 MolecularWeight: 400.26582

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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=C3Br

Isomeric SMILES

COC(=O)[C@@H]1[C@H](N(C(=O)C2=CC=CC=C12)CC=C)C3=CC=CC=C3Br

InChI

InChI=1S/C20H18BrNO3/c1-3-12-22-18(15-10-6-7-11-16(15)21)17(20(24)25-2)13-8-4-5-9-14(13)19(22)23/h3-11,17-18H,1,12H2,2H3/t17-,18+/m0/s1