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

Systemtic Name: [(2S,3S)-6-bromanyl-2-(3-methoxyphenyl)-4-oxidanylidene-2,3-dihydrochromen-3-yl] N-cyclopentylcarbamate Openeye Name: [(2S,3S)-6-bromo-2-(3-methoxyphenyl)-4-oxo-chroman-3-yl] N-cyclopentylcarbamate CAS Name: N-cyclopentylcarbamic 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-cyclopentylcarbamate Traditional Name: N-cyclopentylcarbamic acid [(2S,3S)-6-bromo-4-keto-2-(3-methoxyphenyl)chroman-3-yl] ester Formula: C22H22BrNO5 MolecularWeight: 460.31778

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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)NC4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)[C@H]2[C@@H](C(=O)C3=C(O2)C=CC(=C3)Br)OC(=O)NC4CCCC4

InChI

InChI=1S/C22H22BrNO5/c1-27-16-8-4-5-13(11-16)20-21(29-22(26)24-15-6-2-3-7-15)19(25)17-12-14(23)9-10-18(17)28-20/h4-5,8-12,15,20-21H,2-3,6-7H2,1H3,(H,24,26)/t20-,21+/m0/s1