methyl 4-[[4-[3-oxidanylidene-3-(oxolan-2-ylmethylamino)propyl]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[3-oxidanylidene-3-(oxolan-2-ylmethylamino)propyl]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[3-oxo-3-(tetrahydrofuran-2-ylmethylamino)propyl]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[3-oxo-3-(2-oxolanylmethylamino)propyl]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[3-keto-3-(tetrahydrofurfurylamino)propyl]piperidino]methyl]benzoic acid methyl ester Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)CCC(=O)NCC3CCCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)CCC(=O)NCC3CCCO3

InChI

InChI=1S/C22H32N2O4/c1-27-22(26)19-7-4-18(5-8-19)16-24-12-10-17(11-13-24)6-9-21(25)23-15-20-3-2-14-28-20/h4-5,7-8,17,20H,2-3,6,9-16H2,1H3,(H,23,25)