3-(3-isocyanophenyl)-5-[(1-methylpiperidin-4-yl)methoxymethyl]benzoic acid

Systemtic Name: 3-(3-isocyanophenyl)-5-[(1-methylpiperidin-4-yl)methoxymethyl]benzoic acid Openeye Name: 3-(3-isocyanophenyl)-5-[(1-methyl-4-piperidyl)methoxymethyl]benzoic acid CAS Name: 3-(3-isocyanophenyl)-5-[(1-methyl-4-piperidinyl)methoxymethyl]benzoic acid IUPAC Name: 3-(3-isocyanophenyl)-5-[(1-methylpiperidin-4-yl)methoxymethyl]benzoic acid Traditional Name: 3-(3-isocyanophenyl)-5-[(1-methyl-4-piperidyl)methoxymethyl]benzoic acid Formula: C22H24N2O3 MolecularWeight: 364.43756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)COCC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)[N+]#[C-]

Isomeric SMILES

CN1CCC(CC1)COCC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)[N+]#[C-]

InChI

InChI=1S/C22H24N2O3/c1-23-21-5-3-4-18(13-21)19-10-17(11-20(12-19)22(25)26)15-27-14-16-6-8-24(2)9-7-16/h3-5,10-13,16H,6-9,14-15H2,2H3,(H,25,26)