5-[[5-(cycloheptylmethyl)-1-(phenylmethyl)imidazol-4-yl]carbonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[5-(cycloheptylmethyl)-1-(phenylmethyl)imidazol-4-yl]carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[1-benzyl-5-(cycloheptylmethyl)imidazole-4-carbonyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[5-(cycloheptylmethyl)-1-(phenylmethyl)-4-imidazolyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[1-benzyl-5-(cycloheptylmethyl)imidazole-4-carbonyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[1-benzyl-5-(cycloheptylmethyl)imidazole-4-carbonyl]amino]isophthalic acid Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)CC2=C(N=CN2CC3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1CCCC(CC1)CC2=C(N=CN2CC3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C27H29N3O5/c31-25(29-22-14-20(26(32)33)13-21(15-22)27(34)35)24-23(12-18-8-4-1-2-5-9-18)30(17-28-24)16-19-10-6-3-7-11-19/h3,6-7,10-11,13-15,17-18H,1-2,4-5,8-9,12,16H2,(H,29,31)(H,32,33)(H,34,35)