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

Systemtic Name: [3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propyl] 4-(hydroxymethyl)benzoate Openeye Name: [3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxy-propyl] 4-(hydroxymethyl)benzoate CAS Name: 4-(hydroxymethyl)benzoic acid [3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropyl] ester IUPAC Name: [3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropyl] 4-(hydroxymethyl)benzoate Traditional Name: 4-methylolbenzoic acid [3-(homoveratrylamino)-2-hydroxy-propyl] ester Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC(COC(=O)C2=CC=C(C=C2)CO)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC(COC(=O)C2=CC=C(C=C2)CO)O)OC

InChI

InChI=1S/C21H27NO6/c1-26-19-8-5-15(11-20(19)27-2)9-10-22-12-18(24)14-28-21(25)17-6-3-16(13-23)4-7-17/h3-8,11,18,22-24H,9-10,12-14H2,1-2H3