methyl 3-(3-cyanophenyl)-5-(piperidin-4-ylmethoxymethyl)benzoate

Systemtic Name: methyl 3-(3-cyanophenyl)-5-(piperidin-4-ylmethoxymethyl)benzoate Openeye Name: methyl 3-(3-cyanophenyl)-5-(4-piperidylmethoxymethyl)benzoate CAS Name: 3-(3-cyanophenyl)-5-(4-piperidinylmethoxymethyl)benzoic acid methyl ester IUPAC Name: methyl 3-(3-cyanophenyl)-5-(piperidin-4-ylmethoxymethyl)benzoate Traditional Name: 3-(3-cyanophenyl)-5-(4-piperidylmethoxymethyl)benzoic acid methyl ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC=CC(=C2)C#N)COCC3CCNCC3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC=CC(=C2)C#N)COCC3CCNCC3

InChI

InChI=1S/C22H24N2O3/c1-26-22(25)21-11-18(15-27-14-16-5-7-24-8-6-16)10-20(12-21)19-4-2-3-17(9-19)13-23/h2-4,9-12,16,24H,5-8,14-15H2,1H3