methyl 2-[6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-8-(propylaminomethyl)chromen-3-yl]ethanoate hydrochloride

Systemtic Name: methyl 2-[6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-8-(propylaminomethyl)chromen-3-yl]ethanoate hydrochloride Openeye Name: methyl 2-[6-chloro-7-hydroxy-4-methyl-2-oxo-8-(propylaminomethyl)chromen-3-yl]acetate hydrochloride CAS Name: 2-[6-chloro-7-hydroxy-4-methyl-2-oxo-8-(propylaminomethyl)-1-benzopyran-3-yl]acetic acid methyl ester hydrochloride IUPAC Name: methyl 2-[6-chloro-7-hydroxy-4-methyl-2-oxo-8-(propylaminomethyl)chromen-3-yl]acetate hydrochloride Traditional Name: 2-[6-chloro-7-hydroxy-2-keto-4-methyl-8-(propylaminomethyl)chromen-3-yl]acetic acid methyl ester hydrochloride Formula: C17H21Cl2NO5 MolecularWeight: 390.25834

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=C2C(=CC(=C1O)Cl)C(=C(C(=O)O2)CC(=O)OC)C.Cl

Isomeric SMILES

CCCNCC1=C2C(=CC(=C1O)Cl)C(=C(C(=O)O2)CC(=O)OC)C.Cl

InChI

InChI=1S/C17H20ClNO5.ClH/c1-4-5-19-8-12-15(21)13(18)6-10-9(2)11(7-14(20)23-3)17(22)24-16(10)12;/h6,19,21H,4-5,7-8H2,1-3H3;1H