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

Systemtic Name: ethyl 3-[3-[(diphenylmethyl)amino]-2-oxidanyl-propoxy]-4-methoxy-benzoate hydrochloride Openeye Name: ethyl 3-[3-(benzhydrylamino)-2-hydroxy-propoxy]-4-methoxy-benzoate hydrochloride CAS Name: 3-[3-[(diphenylmethyl)amino]-2-hydroxypropoxy]-4-methoxybenzoic acid ethyl ester hydrochloride IUPAC Name: ethyl 3-[3-(benzhydrylamino)-2-hydroxypropoxy]-4-methoxybenzoate hydrochloride Traditional Name: 3-[3-(benzhydrylamino)-2-hydroxy-propoxy]-4-methoxy-benzoic acid ethyl ester hydrochloride Formula: C26H30ClNO5 MolecularWeight: 471.9731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO5.ClH/c1-3-31-26(29)21-14-15-23(30-2)24(16-21)32-18-22(28)17-27-25(19-10-6-4-7-11-19)20-12-8-5-9-13-20;/h4-16,22,25,27-28H,3,17-18H2,1-2H3;1H