1-[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]benzotriazole-5-carboxylic acid

Systemtic Name: 1-[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]benzotriazole-5-carboxylic acid Openeye Name: 1-[1-[(3,5-diethoxyphenyl)methyl]-4-piperidyl]benzotriazole-5-carboxylic acid CAS Name: 1-[1-[(3,5-diethoxyphenyl)methyl]-4-piperidinyl]-5-benzotriazolecarboxylic acid IUPAC Name: 1-[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]benzotriazole-5-carboxylic acid Traditional Name: 1-[1-(3,5-diethoxybenzyl)-4-piperidyl]benzotriazole-5-carboxylic acid Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)CN2CCC(CC2)N3C4=C(C=C(C=C4)C(=O)O)N=N3)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)CN2CCC(CC2)N3C4=C(C=C(C=C4)C(=O)O)N=N3)OCC

InChI

InChI=1S/C23H28N4O4/c1-3-30-19-11-16(12-20(14-19)31-4-2)15-26-9-7-18(8-10-26)27-22-6-5-17(23(28)29)13-21(22)24-25-27/h5-6,11-14,18H,3-4,7-10,15H2,1-2H3,(H,28,29)