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

Systemtic Name: [4-(4-ethylphenyl)-1-(4-oxidanylidenebutyl)piperidin-4-yl] 4-azanyl-5-chloranyl-2,3-dihydro-1-benzofuran-7-carboxylate Openeye Name: [4-(4-ethylphenyl)-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-ethylphenyl)-1-(4-oxobutyl)-4-piperidinyl] ester IUPAC Name: [4-(4-ethylphenyl)-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-(4-ethylphenyl)-1-(4-ketobutyl)-4-piperidyl] ester Formula: C26H31ClN2O4 MolecularWeight: 470.98834

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2(CCN(CC2)CCCC=O)OC(=O)C3=CC(=C(C4=C3OCC4)N)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C2(CCN(CC2)CCCC=O)OC(=O)C3=CC(=C(C4=C3OCC4)N)Cl

InChI

InChI=1S/C26H31ClN2O4/c1-2-18-5-7-19(8-6-18)26(10-13-29(14-11-26)12-3-4-15-30)33-25(31)21-17-22(27)23(28)20-9-16-32-24(20)21/h5-8,15,17H,2-4,9-14,16,28H2,1H3