2-[[1-[4-[2-(2,3-dihydro-1H-imidazol-2-yl)ethylcarbamoyl]-2-propan-2-yl-phenyl]-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid

Systemtic Name: 2-[[1-[4-[2-(2,3-dihydro-1H-imidazol-2-yl)ethylcarbamoyl]-2-propan-2-yl-phenyl]-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid Openeye Name: 2-[[1-[4-[2-(2,3-dihydro-1H-imidazol-2-yl)ethylcarbamoyl]-2-isopropyl-phenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid CAS Name: 2-[[[1-[4-[[2-(2,3-dihydro-1H-imidazol-2-yl)ethylamino]-oxomethyl]-2-propan-2-ylphenyl]-5-(2,6-dimethoxyphenyl)-3-pyrazolyl]-oxomethyl]amino]-2-adamantanecarboxylic acid IUPAC Name: 2-[[1-[4-[2-(2,3-dihydro-1H-imidazol-2-yl)ethylcarbamoyl]-2-propan-2-ylphenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid Traditional Name: 2-[[5-(2,6-dimethoxyphenyl)-1-[4-[2-(4-imidazolin-2-yl)ethylcarbamoyl]-2-isopropyl-phenyl]pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid Formula: C38H46N6O6 MolecularWeight: 682.80844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)C(=O)NCCC2NC=CN2)N3C(=CC(=N3)C(=O)NC4(C5CC6CC(C5)CC4C6)C(=O)O)C7=C(C=CC=C7OC)OC

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)C(=O)NCCC2NC=CN2)N3C(=CC(=N3)C(=O)NC4(C5CC6CC(C5)CC4C6)C(=O)O)C7=C(C=CC=C7OC)OC

InChI

InChI=1S/C38H46N6O6/c1-21(2)27-19-24(35(45)41-11-10-33-39-12-13-40-33)8-9-29(27)44-30(34-31(49-3)6-5-7-32(34)50-4)20-28(43-44)36(46)42-38(37(47)48)25-15-22-14-23(17-25)18-26(38)16-22/h5-9,12-13,19-23,25-26,33,39-40H,10-11,14-18H2,1-4H3,(H,41,45)(H,42,46)(H,47,48)