methyl 4-[(3,4-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylamino]benzoate hydrochloride

Systemtic Name: methyl 4-[(3,4-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylamino]benzoate hydrochloride Openeye Name: methyl 4-[(7-hydroxy-3,4-dimethyl-2-oxo-chromen-8-yl)methylamino]benzoate hydrochloride CAS Name: 4-[(7-hydroxy-3,4-dimethyl-2-oxo-1-benzopyran-8-yl)methylamino]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[(7-hydroxy-3,4-dimethyl-2-oxochromen-8-yl)methylamino]benzoate hydrochloride Traditional Name: 4-[(7-hydroxy-2-keto-3,4-dimethyl-chromen-8-yl)methylamino]benzoic acid methyl ester hydrochloride Formula: C20H20ClNO5 MolecularWeight: 389.8295

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2CNC3=CC=C(C=C3)C(=O)OC)O)C.Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2CNC3=CC=C(C=C3)C(=O)OC)O)C.Cl

InChI

InChI=1S/C20H19NO5.ClH/c1-11-12(2)19(23)26-18-15(11)8-9-17(22)16(18)10-21-14-6-4-13(5-7-14)20(24)25-3;/h4-9,21-22H,10H2,1-3H3;1H