[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2,3-dihydro-1H-indene-5-carboxylate

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2,3-dihydro-1H-indene-5-carboxylate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] indane-5-carboxylate CAS Name: 2,3-dihydro-1H-indene-5-carboxylic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate Traditional Name: indane-5-carboxylic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C22H25NO5 MolecularWeight: 383.4376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=CC3=C(CCC3)C=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=CC3=C(CCC3)C=C2)OC

InChI

InChI=1S/C22H25NO5/c1-26-19-9-6-15(12-20(19)27-2)10-11-23-21(24)14-28-22(25)18-8-7-16-4-3-5-17(16)13-18/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,23,24)