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

Systemtic Name: 1-[1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-4-yl]benzotriazole-5-carboxylic acid Openeye Name: 1-[1-[(3-ethoxy-4-hydroxy-phenyl)methyl]-4-piperidyl]benzotriazole-5-carboxylic acid CAS Name: 1-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-piperidinyl]-5-benzotriazolecarboxylic acid IUPAC Name: 1-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]benzotriazole-5-carboxylic acid Traditional Name: 1-[1-(3-ethoxy-4-hydroxy-benzyl)-4-piperidyl]benzotriazole-5-carboxylic acid Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c1-2-29-20-11-14(3-6-19(20)26)13-24-9-7-16(8-10-24)25-18-5-4-15(21(27)28)12-17(18)22-23-25/h3-6,11-12,16,26H,2,7-10,13H2,1H3,(H,27,28)