[(2S,3S)-6-methoxy-2-(3-methoxyphenyl)-4-oxidanylidene-2,3-dihydrochromen-3-yl] N-(3-bromanyl-4-methyl-phenyl)carbamate

Systemtic Name: [(2S,3S)-6-methoxy-2-(3-methoxyphenyl)-4-oxidanylidene-2,3-dihydrochromen-3-yl] N-(3-bromanyl-4-methyl-phenyl)carbamate Openeye Name: [(2S,3S)-6-methoxy-2-(3-methoxyphenyl)-4-oxo-chroman-3-yl] N-(3-bromo-4-methyl-phenyl)carbamate CAS Name: N-(3-bromo-4-methylphenyl)carbamic acid [(2S,3S)-6-methoxy-2-(3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(2S,3S)-6-methoxy-2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] N-(3-bromo-4-methylphenyl)carbamate Traditional Name: N-(3-bromo-4-methyl-phenyl)carbamic acid [(2S,3S)-4-keto-6-methoxy-2-(3-methoxyphenyl)chroman-3-yl] ester Formula: C25H22BrNO6 MolecularWeight: 512.34928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)OC2C(OC3=C(C2=O)C=C(C=C3)OC)C4=CC(=CC=C4)OC)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)O[C@H]2[C@@H](OC3=C(C2=O)C=C(C=C3)OC)C4=CC(=CC=C4)OC)Br

InChI

InChI=1S/C25H22BrNO6/c1-14-7-8-16(12-20(14)26)27-25(29)33-24-22(28)19-13-18(31-3)9-10-21(19)32-23(24)15-5-4-6-17(11-15)30-2/h4-13,23-24H,1-3H3,(H,27,29)/t23-,24+/m0/s1