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

Systemtic Name: [(2S,3R)-6-bromanyl-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate Openeye Name: [(2S,3R)-6-bromo-2-(3-methoxyphenyl)chroman-3-yl] N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]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-[2-(3,4-dimethoxyphenyl)ethyl]carbamate Traditional Name: N-homoveratrylcarbamic acid [(2S,3R)-6-bromo-2-(3-methoxyphenyl)chroman-3-yl] ester Formula: C27H28BrNO6 MolecularWeight: 542.41832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)OC2CC3=C(C=CC(=C3)Br)OC2C4=CC(=CC=C4)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)O[C@@H]2CC3=C(C=CC(=C3)Br)O[C@H]2C4=CC(=CC=C4)OC)OC

InChI

InChI=1S/C27H28BrNO6/c1-31-21-6-4-5-18(15-21)26-25(16-19-14-20(28)8-10-22(19)34-26)35-27(30)29-12-11-17-7-9-23(32-2)24(13-17)33-3/h4-10,13-15,25-26H,11-12,16H2,1-3H3,(H,29,30)/t25-,26+/m1/s1