[(2S,3R)-6-bromanyl-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] N-(3-bromanyl-4-methyl-phenyl)carbamate

Systemtic Name: [(2S,3R)-6-bromanyl-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] N-(3-bromanyl-4-methyl-phenyl)carbamate Openeye Name: [(2S,3R)-6-bromo-2-(3-methoxyphenyl)chroman-3-yl] N-(3-bromo-4-methyl-phenyl)carbamate CAS Name: N-(3-bromo-4-methylphenyl)carbamic acid [(2S,3R)-6-bromo-2-(3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(2S,3R)-6-bromo-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] N-(3-bromo-4-methylphenyl)carbamate Traditional Name: N-(3-bromo-4-methyl-phenyl)carbamic acid [(2S,3R)-6-bromo-2-(3-methoxyphenyl)chroman-3-yl] ester Formula: C24H21Br2NO4 MolecularWeight: 547.23584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)OC2CC3=C(C=CC(=C3)Br)OC2C4=CC(=CC=C4)OC)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)O[C@@H]2CC3=C(C=CC(=C3)Br)O[C@H]2C4=CC(=CC=C4)OC)Br

InChI

InChI=1S/C24H21Br2NO4/c1-14-6-8-18(13-20(14)26)27-24(28)31-22-12-16-10-17(25)7-9-21(16)30-23(22)15-4-3-5-19(11-15)29-2/h3-11,13,22-23H,12H2,1-2H3,(H,27,28)/t22-,23+/m1/s1