methyl 4-[[(3S,4R)-3-(3-methoxy-3-oxidanylidene-propyl)-4-morpholin-4-yl-piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[(3S,4R)-3-(3-methoxy-3-oxidanylidene-propyl)-4-morpholin-4-yl-piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[(3S,4R)-3-(3-methoxy-3-oxo-propyl)-4-morpholino-1-piperidyl]methyl]benzoate CAS Name: 4-[[(3S,4R)-3-(3-methoxy-3-oxopropyl)-4-(4-morpholinyl)-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3S,4R)-3-(3-methoxy-3-oxopropyl)-4-morpholin-4-ylpiperidin-1-yl]methyl]benzoate Traditional Name: 4-[[(3S,4R)-3-(3-keto-3-methoxy-propyl)-4-morpholino-piperidino]methyl]benzoic acid methyl ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1CN(CCC1N2CCOCC2)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC(=O)CC[C@H]1CN(CC[C@H]1N2CCOCC2)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H32N2O5/c1-27-21(25)8-7-19-16-23(10-9-20(19)24-11-13-29-14-12-24)15-17-3-5-18(6-4-17)22(26)28-2/h3-6,19-20H,7-16H2,1-2H3/t19-,20+/m0/s1