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

Systemtic Name: ethyl (4S)-2-azanyl-4-[3-[(3-bromanylphenoxy)methyl]-4-methoxy-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate Openeye Name: ethyl (4S)-2-amino-4-[3-[(3-bromophenoxy)methyl]-4-methoxy-phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate CAS Name: (4S)-2-amino-4-[3-[(3-bromophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-amino-4-[3-[(3-bromophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Traditional Name: (4S)-2-amino-4-[3-[(3-bromophenoxy)methyl]-4-methoxy-phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carboxylic acid ethyl ester Formula: C28H30BrNO6 MolecularWeight: 556.4449

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3)OC)COC4=CC(=CC=C4)Br)C(=O)CC(C2)(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C([C@@H]1C3=CC(=C(C=C3)OC)COC4=CC(=CC=C4)Br)C(=O)CC(C2)(C)C)N

InChI

InChI=1S/C28H30BrNO6/c1-5-34-27(32)25-23(24-20(31)13-28(2,3)14-22(24)36-26(25)30)16-9-10-21(33-4)17(11-16)15-35-19-8-6-7-18(29)12-19/h6-12,23H,5,13-15,30H2,1-4H3/t23-/m0/s1