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

Systemtic Name: 1-[1-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]piperidin-4-yl]benzotriazole-5-carboxylic acid Openeye Name: 1-[1-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-4-piperidyl]benzotriazole-5-carboxylic acid CAS Name: 1-[1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-piperidinyl]-5-benzotriazolecarboxylic acid IUPAC Name: 1-[1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-4-yl]benzotriazole-5-carboxylic acid Traditional Name: 1-[1-[3-(cyclopentoxy)-4-methoxy-benzyl]-4-piperidyl]benzotriazole-5-carboxylic acid Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCC(CC2)N3C4=C(C=C(C=C4)C(=O)O)N=N3)OC5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCC(CC2)N3C4=C(C=C(C=C4)C(=O)O)N=N3)OC5CCCC5

InChI

InChI=1S/C25H30N4O4/c1-32-23-9-6-17(14-24(23)33-20-4-2-3-5-20)16-28-12-10-19(11-13-28)29-22-8-7-18(25(30)31)15-21(22)26-27-29/h6-9,14-15,19-20H,2-5,10-13,16H2,1H3,(H,30,31)