[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxidanyl-ethyl]phenyl] benzoate

Systemtic Name: [4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxidanyl-ethyl]phenyl] benzoate Openeye Name: [4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxy-ethyl]phenyl] benzoate CAS Name: benzoic acid [4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxyethyl]phenyl] ester IUPAC Name: [4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxyethyl]phenyl] benzoate Traditional Name: benzoic acid [4-[2-(homoveratrylamino)-1-hydroxy-ethyl]phenyl] ester Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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