methyl 2-[3-[methyl(3-phenylpropyl)amino]-2-oxidanyl-propoxy]benzoate hydrochloride

Systemtic Name: methyl 2-[3-[methyl(3-phenylpropyl)amino]-2-oxidanyl-propoxy]benzoate hydrochloride Openeye Name: methyl 2-[2-hydroxy-3-[methyl(3-phenylpropyl)amino]propoxy]benzoate hydrochloride CAS Name: 2-[2-hydroxy-3-[methyl(3-phenylpropyl)amino]propoxy]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 2-[2-hydroxy-3-[methyl(3-phenylpropyl)amino]propoxy]benzoate hydrochloride Traditional Name: 2-[2-hydroxy-3-[methyl(3-phenylpropyl)amino]propoxy]benzoic acid methyl ester hydrochloride Formula: C21H28ClNO4 MolecularWeight: 393.90432

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CC=CC=C1)CC(COC2=CC=CC=C2C(=O)OC)O.Cl

Isomeric SMILES

CN(CCCC1=CC=CC=C1)CC(COC2=CC=CC=C2C(=O)OC)O.Cl

InChI

InChI=1S/C21H27NO4.ClH/c1-22(14-8-11-17-9-4-3-5-10-17)15-18(23)16-26-20-13-7-6-12-19(20)21(24)25-2;/h3-7,9-10,12-13,18,23H,8,11,14-16H2,1-2H3;1H