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

Systemtic Name: ethyl 4-[3-[(diphenylmethyl)amino]-2-oxidanyl-propoxy]-3-ethoxy-benzoate hydrochloride Openeye Name: ethyl 4-[3-(benzhydrylamino)-2-hydroxy-propoxy]-3-ethoxy-benzoate hydrochloride CAS Name: 4-[3-[(diphenylmethyl)amino]-2-hydroxypropoxy]-3-ethoxybenzoic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[3-(benzhydrylamino)-2-hydroxypropoxy]-3-ethoxybenzoate hydrochloride Traditional Name: 4-[3-(benzhydrylamino)-2-hydroxy-propoxy]-3-ethoxy-benzoic acid ethyl ester hydrochloride Formula: C27H32ClNO5 MolecularWeight: 485.99968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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