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

Systemtic Name: [4-(4-methoxyphenyl)-1-(4-oxidanylidenebutyl)piperidin-4-yl] 4-azanyl-5-chloranyl-2,3-dihydro-1-benzofuran-7-carboxylate Openeye Name: [4-(4-methoxyphenyl)-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-(4-methoxyphenyl)-1-(4-oxobutyl)-4-piperidinyl] ester IUPAC Name: [4-(4-methoxyphenyl)-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 [1-(4-ketobutyl)-4-(4-methoxyphenyl)-4-piperidyl] ester Formula: C25H29ClN2O5 MolecularWeight: 472.96116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClN2O5/c1-31-18-6-4-17(5-7-18)25(9-12-28(13-10-25)11-2-3-14-29)33-24(30)20-16-21(26)22(27)19-8-15-32-23(19)20/h4-7,14,16H,2-3,8-13,15,27H2,1H3