methyl 4-[5-[[(2-oxidanyl-2-phenyl-ethyl)amino]methyl]furan-2-yl]benzoate hydrochloride

Systemtic Name: methyl 4-[5-[[(2-oxidanyl-2-phenyl-ethyl)amino]methyl]furan-2-yl]benzoate hydrochloride Openeye Name: methyl 4-[5-[[(2-hydroxy-2-phenyl-ethyl)amino]methyl]-2-furyl]benzoate hydrochloride CAS Name: 4-[5-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-furanyl]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[5-[[(2-hydroxy-2-phenylethyl)amino]methyl]furan-2-yl]benzoate hydrochloride Traditional Name: 4-[5-[[(2-hydroxy-2-phenyl-ethyl)amino]methyl]-2-furyl]benzoic acid methyl ester hydrochloride Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)CNCC(C3=CC=CC=C3)O.Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)CNCC(C3=CC=CC=C3)O.Cl

InChI

InChI=1S/C21H21NO4.ClH/c1-25-21(24)17-9-7-16(8-10-17)20-12-11-18(26-20)13-22-14-19(23)15-5-3-2-4-6-15;/h2-12,19,22-23H,13-14H2,1H3;1H