2-(4-acetamidonaphthalen-1-yl)-1-[[3-(2,6-dimethoxyphenyl)-1H-pyrazol-5-yl]carbonylamino]adamantane-2-carboxylic acid

Systemtic Name: 2-(4-acetamidonaphthalen-1-yl)-1-[[3-(2,6-dimethoxyphenyl)-1H-pyrazol-5-yl]carbonylamino]adamantane-2-carboxylic acid Openeye Name: 2-(4-acetamido-1-naphthyl)-1-[[3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]adamantane-2-carboxylic acid CAS Name: 2-(4-acetamido-1-naphthalenyl)-1-[[[3-(2,6-dimethoxyphenyl)-1H-pyrazol-5-yl]-oxomethyl]amino]-2-adamantanecarboxylic acid IUPAC Name: 2-(4-acetamidonaphthalen-1-yl)-1-[[3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]adamantane-2-carboxylic acid Traditional Name: 2-(4-acetamido-1-naphthyl)-1-[[3-(2,6-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]adamantane-2-carboxylic acid Formula: C35H36N4O6 MolecularWeight: 608.68354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C2=CC=CC=C21)C3(C4CC5CC(C4)CC3(C5)NC(=O)C6=CC(=NN6)C7=C(C=CC=C7OC)OC)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C2=CC=CC=C21)C3(C4CC5CC(C4)CC3(C5)NC(=O)C6=CC(=NN6)C7=C(C=CC=C7OC)OC)C(=O)O

InChI

InChI=1S/C35H36N4O6/c1-19(40)36-26-12-11-25(23-7-4-5-8-24(23)26)35(33(42)43)22-14-20-13-21(15-22)18-34(35,17-20)37-32(41)28-16-27(38-39-28)31-29(44-2)9-6-10-30(31)45-3/h4-12,16,20-22H,13-15,17-18H2,1-3H3,(H,36,40)(H,37,41)(H,38,39)(H,42,43)