2-[(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylamino]-3-phenyl-propanoic acid hydrochloride

Systemtic Name: 2-[(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylamino]-3-phenyl-propanoic acid hydrochloride Openeye Name: 2-[(7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methylamino]-3-phenyl-propanoic acid hydrochloride CAS Name: 2-[(7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methylamino]-3-phenylpropanoic acid hydrochloride IUPAC Name: 2-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methylamino]-3-phenylpropanoic acid hydrochloride Traditional Name: 2-[(7-hydroxy-2-keto-4-methyl-chromen-8-yl)methylamino]-3-phenyl-propionic acid hydrochloride Formula: C20H20ClNO5 MolecularWeight: 389.8295

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2CNC(CC3=CC=CC=C3)C(=O)O)O.Cl

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2CNC(CC3=CC=CC=C3)C(=O)O)O.Cl

InChI

InChI=1S/C20H19NO5.ClH/c1-12-9-18(23)26-19-14(12)7-8-17(22)15(19)11-21-16(20(24)25)10-13-5-3-2-4-6-13;/h2-9,16,21-22H,10-11H2,1H3,(H,24,25);1H