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

Systemtic Name: [3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propyl] 3-chloranylbenzoate Openeye Name: [3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxy-propyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropyl] ester IUPAC Name: [3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [3-(homoveratrylamino)-2-hydroxy-propyl] ester Formula: C20H24ClNO5 MolecularWeight: 393.86126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClNO5/c1-25-18-7-6-14(10-19(18)26-2)8-9-22-12-17(23)13-27-20(24)15-4-3-5-16(21)11-15/h3-7,10-11,17,22-23H,8-9,12-13H2,1-2H3