methyl 4-[[4-(3-imidazol-1-ylpropylamino)piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(3-imidazol-1-ylpropylamino)piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(3-imidazol-1-ylpropylamino)-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[3-(1-imidazolyl)propylamino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-imidazol-1-ylpropylamino)piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-(3-imidazol-1-ylpropylamino)piperidino]methyl]benzoic acid methyl ester Formula: C20H28N4O2 MolecularWeight: 356.46192

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)NCCCN3C=CN=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)NCCCN3C=CN=C3

InChI

InChI=1S/C20H28N4O2/c1-26-20(25)18-5-3-17(4-6-18)15-23-12-7-19(8-13-23)22-9-2-11-24-14-10-21-16-24/h3-6,10,14,16,19,22H,2,7-9,11-13,15H2,1H3