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

Systemtic Name: 3-[[2-(cycloheptylmethyl)-5-phenyl-1H-pyrrol-3-yl]carbonylamino]benzoic acid Openeye Name: 3-[[2-(cycloheptylmethyl)-5-phenyl-1H-pyrrole-3-carbonyl]amino]benzoic acid CAS Name: 3-[[[2-(cycloheptylmethyl)-5-phenyl-1H-pyrrol-3-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-(cycloheptylmethyl)-5-phenyl-1H-pyrrole-3-carbonyl]amino]benzoic acid Traditional Name: 3-[[2-(cycloheptylmethyl)-5-phenyl-1H-pyrrole-3-carbonyl]amino]benzoic acid Formula: C26H28N2O3 MolecularWeight: 416.51212

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O3/c29-25(27-21-14-8-13-20(16-21)26(30)31)22-17-23(19-11-6-3-7-12-19)28-24(22)15-18-9-4-1-2-5-10-18/h3,6-8,11-14,16-18,28H,1-2,4-5,9-10,15H2,(H,27,29)(H,30,31)