(3S,4R)-4-(2-bromophenyl)carbonyl-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one

Systemtic Name: (3S,4R)-4-(2-bromophenyl)carbonyl-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one Openeye Name: (3S,4R)-4-(2-bromobenzoyl)-3-(4-methoxyphenyl)isochroman-1-one CAS Name: (3S,4R)-4-[(2-bromophenyl)-oxomethyl]-3-(4-methoxyphenyl)-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3S,4R)-4-(2-bromobenzoyl)-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one Traditional Name: (3S,4R)-4-(2-bromobenzoyl)-3-(4-methoxyphenyl)isochroman-1-one Formula: C23H17BrO4 MolecularWeight: 437.28268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4Br

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2[C@@H](C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C23H17BrO4/c1-27-15-12-10-14(11-13-15)22-20(21(25)18-8-4-5-9-19(18)24)16-6-2-3-7-17(16)23(26)28-22/h2-13,20,22H,1H3/t20-,22+/m0/s1