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

Systemtic Name: 3-methyl-2-[(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylamino]pentanoic acid hydrochloride Openeye Name: 2-[(7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methylamino]-3-methyl-pentanoic acid hydrochloride CAS Name: 2-[(7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methylamino]-3-methylpentanoic acid hydrochloride IUPAC Name: 2-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methylamino]-3-methylpentanoic acid hydrochloride Traditional Name: 2-[(7-hydroxy-2-keto-4-methyl-chromen-8-yl)methylamino]-3-methyl-valeric acid hydrochloride Formula: C17H22ClNO5 MolecularWeight: 355.81328

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NCC1=C(C=CC2=C1OC(=O)C=C2C)O.Cl

Isomeric SMILES

CCC(C)C(C(=O)O)NCC1=C(C=CC2=C1OC(=O)C=C2C)O.Cl

InChI

InChI=1S/C17H21NO5.ClH/c1-4-9(2)15(17(21)22)18-8-12-13(19)6-5-11-10(3)7-14(20)23-16(11)12;/h5-7,9,15,18-19H,4,8H2,1-3H3,(H,21,22);1H