methyl (4R)-2-azanyl-4-[3-[(3-bromanylphenoxy)methyl]-4-methoxy-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate

Systemtic Name: methyl (4R)-2-azanyl-4-[3-[(3-bromanylphenoxy)methyl]-4-methoxy-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate Openeye Name: methyl (4R)-2-amino-4-[3-[(3-bromophenoxy)methyl]-4-methoxy-phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate CAS Name: (4R)-2-amino-4-[3-[(3-bromophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl (4R)-2-amino-4-[3-[(3-bromophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Traditional Name: (4R)-2-amino-4-[3-[(3-bromophenoxy)methyl]-4-methoxy-phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carboxylic acid methyl ester Formula: C27H28BrNO6 MolecularWeight: 542.41832

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C(=O)OC)C3=CC(=C(C=C3)OC)COC4=CC(=CC=C4)Br)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@H](C(=C(O2)N)C(=O)OC)C3=CC(=C(C=C3)OC)COC4=CC(=CC=C4)Br)C(=O)C1)C

InChI

InChI=1S/C27H28BrNO6/c1-27(2)12-19(30)23-21(13-27)35-25(29)24(26(31)33-4)22(23)15-8-9-20(32-3)16(10-15)14-34-18-7-5-6-17(28)11-18/h5-11,22H,12-14,29H2,1-4H3/t22-/m1/s1