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

Systemtic Name: [4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxidanyl-ethyl]phenyl] 4-methylbenzoate Openeye Name: [4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxy-ethyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxyethyl]phenyl] ester IUPAC Name: [4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxyethyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[2-(homoveratrylamino)-1-hydroxy-ethyl]phenyl] ester Formula: C26H29NO5 MolecularWeight: 435.51216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(CNCCC3=CC(=C(C=C3)OC)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(CNCCC3=CC(=C(C=C3)OC)OC)O

InChI

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