1-[1-[(3-butoxy-4-methoxy-phenyl)methyl]piperidin-4-yl]benzotriazole-5-carboxylic acid

Systemtic Name: 1-[1-[(3-butoxy-4-methoxy-phenyl)methyl]piperidin-4-yl]benzotriazole-5-carboxylic acid Openeye Name: 1-[1-[(3-butoxy-4-methoxy-phenyl)methyl]-4-piperidyl]benzotriazole-5-carboxylic acid CAS Name: 1-[1-[(3-butoxy-4-methoxyphenyl)methyl]-4-piperidinyl]-5-benzotriazolecarboxylic acid IUPAC Name: 1-[1-[(3-butoxy-4-methoxyphenyl)methyl]piperidin-4-yl]benzotriazole-5-carboxylic acid Traditional Name: 1-[1-(3-butoxy-4-methoxy-benzyl)-4-piperidyl]benzotriazole-5-carboxylic acid Formula: C24H30N4O4 MolecularWeight: 438.5194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)CN2CCC(CC2)N3C4=C(C=C(C=C4)C(=O)O)N=N3)OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)CN2CCC(CC2)N3C4=C(C=C(C=C4)C(=O)O)N=N3)OC

InChI

InChI=1S/C24H30N4O4/c1-3-4-13-32-23-14-17(5-8-22(23)31-2)16-27-11-9-19(10-12-27)28-21-7-6-18(24(29)30)15-20(21)25-26-28/h5-8,14-15,19H,3-4,9-13,16H2,1-2H3,(H,29,30)