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

Systemtic Name: 1-[1-[(4-methoxy-3-prop-2-enoxy-phenyl)methyl]piperidin-4-yl]benzotriazole-5-carboxylic acid Openeye Name: 1-[1-[(3-allyloxy-4-methoxy-phenyl)methyl]-4-piperidyl]benzotriazole-5-carboxylic acid CAS Name: 1-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]-4-piperidinyl]-5-benzotriazolecarboxylic acid IUPAC Name: 1-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]benzotriazole-5-carboxylic acid Traditional Name: 1-[1-(3-allyloxy-4-methoxy-benzyl)-4-piperidyl]benzotriazole-5-carboxylic acid Formula: C23H26N4O4 MolecularWeight: 422.47694

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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/C23H26N4O4/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/h3-7,13-14,18H,1,8-12,15H2,2H3,(H,28,29)