methyl 4-[3-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-oxidanylidene-propoxy]benzoate

Systemtic Name: methyl 4-[3-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-oxidanylidene-propoxy]benzoate Openeye Name: methyl 4-[3-[4-(1H-imidazol-5-ylmethyl)-1-piperidyl]-3-oxo-propoxy]benzoate CAS Name: 4-[3-[4-(1H-imidazol-5-ylmethyl)-1-piperidinyl]-3-oxopropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-oxopropoxy]benzoate Traditional Name: 4-[3-[4-(1H-imidazol-5-ylmethyl)piperidino]-3-keto-propoxy]benzoic acid methyl ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCCC(=O)N2CCC(CC2)CC3=CN=CN3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCCC(=O)N2CCC(CC2)CC3=CN=CN3

InChI

InChI=1S/C20H25N3O4/c1-26-20(25)16-2-4-18(5-3-16)27-11-8-19(24)23-9-6-15(7-10-23)12-17-13-21-14-22-17/h2-5,13-15H,6-12H2,1H3,(H,21,22)