1-[1-[(4-methoxy-3-prop-2-ynoxy-phenyl)methyl]piperidin-4-yl]benzotriazole-5-carboxylic acid

Systemtic Name: 1-[1-[(4-methoxy-3-prop-2-ynoxy-phenyl)methyl]piperidin-4-yl]benzotriazole-5-carboxylic acid Openeye Name: 1-[1-[(4-methoxy-3-prop-2-ynoxy-phenyl)methyl]-4-piperidyl]benzotriazole-5-carboxylic acid CAS Name: 1-[1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-4-piperidinyl]-5-benzotriazolecarboxylic acid IUPAC Name: 1-[1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]piperidin-4-yl]benzotriazole-5-carboxylic acid Traditional Name: 1-[1-(4-methoxy-3-propargyloxy-benzyl)-4-piperidyl]benzotriazole-5-carboxylic acid Formula: C23H24N4O4 MolecularWeight: 420.46106

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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)OCC#C

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O4/c1-3-12-31-22-13-16(4-7-21(22)30-2)15-26-10-8-18(9-11-26)27-20-6-5-17(23(28)29)14-19(20)24-25-27/h1,4-7,13-14,18H,8-12,15H2,2H3,(H,28,29)