(1-azanyl-4,5,6-trimethoxy-3-oxidanylidene-1,2-dihydroinden-2-yl) 4-chloranylbutanoate hydrochloride

Systemtic Name: (1-azanyl-4,5,6-trimethoxy-3-oxidanylidene-1,2-dihydroinden-2-yl) 4-chloranylbutanoate hydrochloride Openeye Name: (1-amino-4,5,6-trimethoxy-3-oxo-indan-2-yl) 4-chlorobutanoate hydrochloride CAS Name: 4-chlorobutanoic acid (1-amino-4,5,6-trimethoxy-3-oxo-1,2-dihydroinden-2-yl) ester hydrochloride IUPAC Name: (1-amino-4,5,6-trimethoxy-3-oxo-1,2-dihydroinden-2-yl) 4-chlorobutanoate hydrochloride Traditional Name: 4-chlorobutyric acid (1-amino-3-keto-4,5,6-trimethoxy-indan-2-yl) ester hydrochloride Formula: C16H21Cl2NO6 MolecularWeight: 394.24704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C(C(C2=O)OC(=O)CCCCl)N)OC)OC.Cl

Isomeric SMILES

COC1=C(C(=C2C(=C1)C(C(C2=O)OC(=O)CCCCl)N)OC)OC.Cl

InChI

InChI=1S/C16H20ClNO6.ClH/c1-21-9-7-8-11(15(23-3)14(9)22-2)13(20)16(12(8)18)24-10(19)5-4-6-17;/h7,12,16H,4-6,18H2,1-3H3;1H