3-[[3-(1-adamantyloxymethyl)-1-cyclohexyl-5-methoxy-pyrazol-4-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[3-(1-adamantyloxymethyl)-1-cyclohexyl-5-methoxy-pyrazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[3-(1-adamantyloxymethyl)-1-cyclohexyl-5-methoxy-pyrazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[3-(1-adamantyloxymethyl)-1-cyclohexyl-5-methoxy-4-pyrazolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[3-(1-adamantyloxymethyl)-1-cyclohexyl-5-methoxypyrazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[3-(1-adamantyloxymethyl)-1-cyclohexyl-5-methoxy-pyrazole-4-carbonyl]amino]benzoic acid Formula: C29H37N3O5 MolecularWeight: 507.62118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NN1C2CCCCC2)COC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

Isomeric SMILES

COC1=C(C(=NN1C2CCCCC2)COC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

InChI

InChI=1S/C29H37N3O5/c1-36-27-25(26(33)30-22-7-5-6-21(13-22)28(34)35)24(31-32(27)23-8-3-2-4-9-23)17-37-29-14-18-10-19(15-29)12-20(11-18)16-29/h5-7,13,18-20,23H,2-4,8-12,14-17H2,1H3,(H,30,33)(H,34,35)