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

Systemtic Name: [3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propyl] 2-chloranylbenzoate Openeye Name: [3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxy-propyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropyl] ester IUPAC Name: [3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropyl] 2-chlorobenzoate Traditional Name: 2-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=C2Cl)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC(COC(=O)C2=CC=CC=C2Cl)O)OC

InChI

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