methyl 4-[5-chloranyl-2-[[(1-methylpiperidin-3-yl)carbonylamino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzoate

Systemtic Name: methyl 4-[5-chloranyl-2-[[(1-methylpiperidin-3-yl)carbonylamino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzoate Openeye Name: methyl 4-[5-chloro-2-[[(1-methylpiperidine-3-carbonyl)amino]methyl]-2,3-dihydrobenzofuran-7-yl]benzoate CAS Name: 4-[5-chloro-2-[[[(1-methyl-3-piperidinyl)-oxomethyl]amino]methyl]-2,3-dihydrobenzofuran-7-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-chloro-2-[[(1-methylpiperidine-3-carbonyl)amino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzoate Traditional Name: 4-[5-chloro-2-[[(1-methylnipecotoyl)amino]methyl]coumaran-7-yl]benzoic acid methyl ester Formula: C24H27ClN2O4 MolecularWeight: 442.93518

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)C(=O)NCC2CC3=C(O2)C(=CC(=C3)Cl)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CN1CCCC(C1)C(=O)NCC2CC3=C(O2)C(=CC(=C3)Cl)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C24H27ClN2O4/c1-27-9-3-4-17(14-27)23(28)26-13-20-11-18-10-19(25)12-21(22(18)31-20)15-5-7-16(8-6-15)24(29)30-2/h5-8,10,12,17,20H,3-4,9,11,13-14H2,1-2H3,(H,26,28)