ethyl 2-[3-[(diphenylmethyl)amino]-2-oxidanyl-propoxy]-5-ethoxy-benzoate hydrochloride

Systemtic Name: ethyl 2-[3-[(diphenylmethyl)amino]-2-oxidanyl-propoxy]-5-ethoxy-benzoate hydrochloride Openeye Name: ethyl 2-[3-(benzhydrylamino)-2-hydroxy-propoxy]-5-ethoxy-benzoate hydrochloride CAS Name: 2-[3-[(diphenylmethyl)amino]-2-hydroxypropoxy]-5-ethoxybenzoic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[3-(benzhydrylamino)-2-hydroxypropoxy]-5-ethoxybenzoate hydrochloride Traditional Name: 2-[3-(benzhydrylamino)-2-hydroxy-propoxy]-5-ethoxy-benzoic acid ethyl ester hydrochloride Formula: C27H32ClNO5 MolecularWeight: 485.99968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC(CNC(C2=CC=CC=C2)C3=CC=CC=C3)O)C(=O)OCC.Cl

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC(CNC(C2=CC=CC=C2)C3=CC=CC=C3)O)C(=O)OCC.Cl

InChI

InChI=1S/C27H31NO5.ClH/c1-3-31-23-15-16-25(24(17-23)27(30)32-4-2)33-19-22(29)18-28-26(20-11-7-5-8-12-20)21-13-9-6-10-14-21;/h5-17,22,26,28-29H,3-4,18-19H2,1-2H3;1H