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

Systemtic Name: 2-[[5-(2,6-dimethoxyphenyl)-1-naphthalen-1-yl-pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid Openeye Name: 2-[[5-(2,6-dimethoxyphenyl)-1-(1-naphthyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid CAS Name: 2-[[[5-(2,6-dimethoxyphenyl)-1-(1-naphthalenyl)-3-pyrazolyl]-oxomethyl]amino]-2-adamantanecarboxylic acid IUPAC Name: 2-[[5-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylpyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid Traditional Name: 2-[[5-(2,6-dimethoxyphenyl)-1-(1-naphthyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid Formula: C33H33N3O5 MolecularWeight: 551.63222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC=CC4=CC=CC=C43)C(=O)NC5(C6CC7CC(C6)CC5C7)C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC=CC4=CC=CC=C43)C(=O)NC5(C6CC7CC(C6)CC5C7)C(=O)O

InChI

InChI=1S/C33H33N3O5/c1-40-28-11-6-12-29(41-2)30(28)27-18-25(35-36(27)26-10-5-8-21-7-3-4-9-24(21)26)31(37)34-33(32(38)39)22-14-19-13-20(16-22)17-23(33)15-19/h3-12,18-20,22-23H,13-17H2,1-2H3,(H,34,37)(H,38,39)