methyl 3-(3-cyanophenyl)-5-[(piperidin-4-ylmethylamino)methyl]benzoate

Systemtic Name: methyl 3-(3-cyanophenyl)-5-[(piperidin-4-ylmethylamino)methyl]benzoate Openeye Name: methyl 3-(3-cyanophenyl)-5-[(4-piperidylmethylamino)methyl]benzoate CAS Name: 3-(3-cyanophenyl)-5-[(4-piperidinylmethylamino)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(3-cyanophenyl)-5-[(piperidin-4-ylmethylamino)methyl]benzoate Traditional Name: 3-(3-cyanophenyl)-5-[(4-piperidylmethylamino)methyl]benzoic acid methyl ester Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC=CC(=C2)C#N)CNCC3CCNCC3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC=CC(=C2)C#N)CNCC3CCNCC3

InChI

InChI=1S/C22H25N3O2/c1-27-22(26)21-11-18(15-25-14-16-5-7-24-8-6-16)10-20(12-21)19-4-2-3-17(9-19)13-23/h2-4,9-12,16,24-25H,5-8,14-15H2,1H3