1-(propylamino)propan-2-yl 3-azanyl-4-butoxy-benzoate chloride

Systemtic Name: 1-(propylamino)propan-2-yl 3-azanyl-4-butoxy-benzoate chloride Openeye Name: [1-methyl-2-(propylamino)ethyl] 3-amino-4-butoxy-benzoate chloride CAS Name: 3-amino-4-butoxybenzoic acid 1-(propylamino)propan-2-yl ester chloride IUPAC Name: 1-(propylamino)propan-2-yl 3-amino-4-butoxybenzoate chloride Traditional Name: 3-amino-4-butoxy-benzoic acid [1-methyl-2-(propylamino)ethyl] ester chloride Formula: C17H28ClN2O3- MolecularWeight: 343.86882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OC(C)CNCCC)N.[Cl-]

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OC(C)CNCCC)N.[Cl-]

InChI

InChI=1S/C17H28N2O3.ClH/c1-4-6-10-21-16-8-7-14(11-15(16)18)17(20)22-13(3)12-19-9-5-2;/h7-8,11,13,19H,4-6,9-10,12,18H2,1-3H3;1H/p-1