methyl (4R)-2-azanyl-5-oxidanylidene-4-(4-prop-2-ynoxyphenyl)-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: methyl (4R)-2-azanyl-5-oxidanylidene-4-(4-prop-2-ynoxyphenyl)-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: methyl (4R)-2-amino-5-oxo-4-(4-prop-2-ynoxyphenyl)-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: (4R)-2-amino-5-oxo-4-(4-prop-2-ynoxyphenyl)-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl (4R)-2-amino-5-oxo-4-(4-prop-2-ynoxyphenyl)-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: (4R)-2-amino-5-keto-4-(4-propargyloxyphenyl)-4,6,7,8-tetrahydrochromene-3-carboxylic acid methyl ester Formula: C20H19NO5 MolecularWeight: 353.36856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C1=C(OC2=C([C@H]1C3=CC=C(C=C3)OCC#C)C(=O)CCC2)N

InChI

InChI=1S/C20H19NO5/c1-3-11-25-13-9-7-12(8-10-13)16-17-14(22)5-4-6-15(17)26-19(21)18(16)20(23)24-2/h1,7-10,16H,4-6,11,21H2,2H3/t16-/m1/s1