5-[[5-(1-adamantylmethyl)-2-phenyl-1H-imidazol-4-yl]carbonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[5-(1-adamantylmethyl)-2-phenyl-1H-imidazol-4-yl]carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[5-(1-adamantylmethyl)-2-phenyl-1H-imidazole-4-carbonyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[5-(1-adamantylmethyl)-2-phenyl-1H-imidazol-4-yl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[5-(1-adamantylmethyl)-2-phenyl-1H-imidazole-4-carbonyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[5-(1-adamantylmethyl)-2-phenyl-1H-imidazole-4-carbonyl]amino]isophthalic acid Formula: C29H29N3O5 MolecularWeight: 499.55766

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC4=C(N=C(N4)C5=CC=CC=C5)C(=O)NC6=CC(=CC(=C6)C(=O)O)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC4=C(N=C(N4)C5=CC=CC=C5)C(=O)NC6=CC(=CC(=C6)C(=O)O)C(=O)O

InChI

InChI=1S/C29H29N3O5/c33-26(30-22-10-20(27(34)35)9-21(11-22)28(36)37)24-23(31-25(32-24)19-4-2-1-3-5-19)15-29-12-16-6-17(13-29)8-18(7-16)14-29/h1-5,9-11,16-18H,6-8,12-15H2,(H,30,33)(H,31,32)(H,34,35)(H,36,37)