[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propyl] 4-methylbenzoate

Systemtic Name: [3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propyl] 4-methylbenzoate Openeye Name: [3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxy-propyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropyl] ester IUPAC Name: [3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-(homoveratrylamino)-2-hydroxy-propyl] ester Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O

InChI

InChI=1S/C21H27NO5/c1-15-4-7-17(8-5-15)21(24)27-14-18(23)13-22-11-10-16-6-9-19(25-2)20(12-16)26-3/h4-9,12,18,22-23H,10-11,13-14H2,1-3H3