5-[[2-(cycloheptylmethyl)-5-phenyl-1H-pyrrol-3-yl]carbonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[2-(cycloheptylmethyl)-5-phenyl-1H-pyrrol-3-yl]carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[2-(cycloheptylmethyl)-5-phenyl-1H-pyrrole-3-carbonyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[2-(cycloheptylmethyl)-5-phenyl-1H-pyrrol-3-yl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[2-(cycloheptylmethyl)-5-phenyl-1H-pyrrole-3-carbonyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-(cycloheptylmethyl)-5-phenyl-1H-pyrrole-3-carbonyl]amino]isophthalic acid Formula: C27H28N2O5 MolecularWeight: 460.52162

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)CC2=C(C=C(N2)C3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1CCCC(CC1)CC2=C(C=C(N2)C3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C27H28N2O5/c30-25(28-21-14-19(26(31)32)13-20(15-21)27(33)34)22-16-23(18-10-6-3-7-11-18)29-24(22)12-17-8-4-1-2-5-9-17/h3,6-7,10-11,13-17,29H,1-2,4-5,8-9,12H2,(H,28,30)(H,31,32)(H,33,34)