1-[1-[(8-ethoxy-2,2-dimethyl-chromen-6-yl)methyl]piperidin-4-yl]benzotriazole-5-carboxylic acid

Systemtic Name: 1-[1-[(8-ethoxy-2,2-dimethyl-chromen-6-yl)methyl]piperidin-4-yl]benzotriazole-5-carboxylic acid Openeye Name: 1-[1-[(8-ethoxy-2,2-dimethyl-chromen-6-yl)methyl]-4-piperidyl]benzotriazole-5-carboxylic acid CAS Name: 1-[1-[(8-ethoxy-2,2-dimethyl-1-benzopyran-6-yl)methyl]-4-piperidinyl]-5-benzotriazolecarboxylic acid IUPAC Name: 1-[1-[(8-ethoxy-2,2-dimethylchromen-6-yl)methyl]piperidin-4-yl]benzotriazole-5-carboxylic acid Traditional Name: 1-[1-[(8-ethoxy-2,2-dimethyl-chromen-6-yl)methyl]-4-piperidyl]benzotriazole-5-carboxylic acid Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC(=C1)CN3CCC(CC3)N4C5=C(C=C(C=C5)C(=O)O)N=N4)C=CC(O2)(C)C

Isomeric SMILES

CCOC1=C2C(=CC(=C1)CN3CCC(CC3)N4C5=C(C=C(C=C5)C(=O)O)N=N4)C=CC(O2)(C)C

InChI

InChI=1S/C26H30N4O4/c1-4-33-23-14-17(13-18-7-10-26(2,3)34-24(18)23)16-29-11-8-20(9-12-29)30-22-6-5-19(25(31)32)15-21(22)27-28-30/h5-7,10,13-15,20H,4,8-9,11-12,16H2,1-3H3,(H,31,32)