methyl 2-azanyl-4-(5-bromanyl-2-prop-2-ynoxy-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: methyl 2-azanyl-4-(5-bromanyl-2-prop-2-ynoxy-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: methyl 2-amino-4-(5-bromo-2-prop-2-ynoxy-phenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: 2-amino-4-(5-bromo-2-prop-2-ynoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-(5-bromo-2-prop-2-ynoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: 2-amino-4-(5-bromo-2-propargyloxy-phenyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carboxylic acid methyl ester Formula: C20H18BrNO5 MolecularWeight: 432.26462

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC2=C(C1C3=C(C=CC(=C3)Br)OCC#C)C(=O)CCC2)N

Isomeric SMILES

COC(=O)C1=C(OC2=C(C1C3=C(C=CC(=C3)Br)OCC#C)C(=O)CCC2)N

InChI

InChI=1S/C20H18BrNO5/c1-3-9-26-14-8-7-11(21)10-12(14)16-17-13(23)5-4-6-15(17)27-19(22)18(16)20(24)25-2/h1,7-8,10,16H,4-6,9,22H2,2H3