ethyl (4R)-2-azanyl-4-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: ethyl (4R)-2-azanyl-4-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: ethyl (4R)-2-amino-4-(4-benzyloxy-3-bromo-5-methoxy-phenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: (4R)-2-amino-4-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-2-amino-4-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: (4R)-2-amino-4-(4-benzoxy-3-bromo-5-methoxy-phenyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carboxylic acid ethyl ester Formula: C26H26BrNO6 MolecularWeight: 528.39174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C(=C3)Br)OCC4=CC=CC=C4)OC)C(=O)CCC2)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C([C@H]1C3=CC(=C(C(=C3)Br)OCC4=CC=CC=C4)OC)C(=O)CCC2)N

InChI

InChI=1S/C26H26BrNO6/c1-3-32-26(30)23-21(22-18(29)10-7-11-19(22)34-25(23)28)16-12-17(27)24(20(13-16)31-2)33-14-15-8-5-4-6-9-15/h4-6,8-9,12-13,21H,3,7,10-11,14,28H2,1-2H3/t21-/m1/s1