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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(C(=O)C3=C(O2)C=CC(=C3)Br)OC(=O)NCCOC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)[C@H]2[C@@H](C(=O)C3=C(O2)C=CC(=C3)Br)OC(=O)NCCOC4=CC=CC=C4

InChI

InChI=1S/C25H22BrNO6/c1-30-19-9-5-6-16(14-19)23-24(22(28)20-15-17(26)10-11-21(20)32-23)33-25(29)27-12-13-31-18-7-3-2-4-8-18/h2-11,14-15,23-24H,12-13H2,1H3,(H,27,29)/t23-,24+/m0/s1