2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-phenylmethoxyphenyl)ethanone hydrochloride

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-phenylmethoxyphenyl)ethanone hydrochloride Openeye Name: 1-(4-benzyloxyphenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanone hydrochloride CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-phenylmethoxyphenyl)ethanone hydrochloride IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-phenylmethoxyphenyl)ethanone hydrochloride Traditional Name: 1-(4-benzoxyphenyl)-2-(homoveratrylamino)ethanone hydrochloride Formula: C25H28ClNO4 MolecularWeight: 441.94712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)OC.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)OC.Cl

InChI

InChI=1S/C25H27NO4.ClH/c1-28-24-13-8-19(16-25(24)29-2)14-15-26-17-23(27)21-9-11-22(12-10-21)30-18-20-6-4-3-5-7-20;/h3-13,16,26H,14-15,17-18H2,1-2H3;1H