methyl 4-[3-[(diphenylmethyl)amino]-2-oxidanyl-propoxy]-3-methoxy-benzoate hydrochloride

Systemtic Name: methyl 4-[3-[(diphenylmethyl)amino]-2-oxidanyl-propoxy]-3-methoxy-benzoate hydrochloride Openeye Name: methyl 4-[3-(benzhydrylamino)-2-hydroxy-propoxy]-3-methoxy-benzoate hydrochloride CAS Name: 4-[3-[(diphenylmethyl)amino]-2-hydroxypropoxy]-3-methoxybenzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[3-(benzhydrylamino)-2-hydroxypropoxy]-3-methoxybenzoate hydrochloride Traditional Name: 4-[3-(benzhydrylamino)-2-hydroxy-propoxy]-3-methoxy-benzoic acid methyl ester hydrochloride Formula: C25H28ClNO5 MolecularWeight: 457.94652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)OCC(CNC(C2=CC=CC=C2)C3=CC=CC=C3)O.Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)OCC(CNC(C2=CC=CC=C2)C3=CC=CC=C3)O.Cl

InChI

InChI=1S/C25H27NO5.ClH/c1-29-23-15-20(25(28)30-2)13-14-22(23)31-17-21(27)16-26-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19;/h3-15,21,24,26-27H,16-17H2,1-2H3;1H