[4-(3,4-dimethoxyphenyl)-1-(4-oxidanylidenebutyl)piperidin-4-yl] 4-azanyl-5-chloranyl-2,3-dihydro-1-benzofuran-7-carboxylate

Systemtic Name: [4-(3,4-dimethoxyphenyl)-1-(4-oxidanylidenebutyl)piperidin-4-yl] 4-azanyl-5-chloranyl-2,3-dihydro-1-benzofuran-7-carboxylate Openeye Name: [4-(3,4-dimethoxyphenyl)-1-(4-oxobutyl)-4-piperidyl] 4-amino-5-chloro-2,3-dihydrobenzofuran-7-carboxylate CAS Name: 4-amino-5-chloro-2,3-dihydrobenzofuran-7-carboxylic acid [4-(3,4-dimethoxyphenyl)-1-(4-oxobutyl)-4-piperidinyl] ester IUPAC Name: [4-(3,4-dimethoxyphenyl)-1-(4-oxobutyl)piperidin-4-yl] 4-amino-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylate Traditional Name: 4-amino-5-chloro-coumaran-7-carboxylic acid [4-(3,4-dimethoxyphenyl)-1-(4-ketobutyl)-4-piperidyl] ester Formula: C26H31ClN2O6 MolecularWeight: 502.98714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCN(CC2)CCCC=O)OC(=O)C3=CC(=C(C4=C3OCC4)N)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCN(CC2)CCCC=O)OC(=O)C3=CC(=C(C4=C3OCC4)N)Cl)OC

InChI

InChI=1S/C26H31ClN2O6/c1-32-21-6-5-17(15-22(21)33-2)26(8-11-29(12-9-26)10-3-4-13-30)35-25(31)19-16-20(27)23(28)18-7-14-34-24(18)19/h5-6,13,15-16H,3-4,7-12,14,28H2,1-2H3