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

Systemtic Name: 3-[[2-[2-(1-adamantyl)ethyl]-5-phenyl-1H-pyrrol-3-yl]carbonylamino]benzoic acid Openeye Name: 3-[[2-[2-(1-adamantyl)ethyl]-5-phenyl-1H-pyrrole-3-carbonyl]amino]benzoic acid CAS Name: 3-[[[2-[2-(1-adamantyl)ethyl]-5-phenyl-1H-pyrrol-3-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-[2-(1-adamantyl)ethyl]-5-phenyl-1H-pyrrole-3-carbonyl]amino]benzoic acid Traditional Name: 3-[[2-[2-(1-adamantyl)ethyl]-5-phenyl-1H-pyrrole-3-carbonyl]amino]benzoic acid Formula: C30H32N2O3 MolecularWeight: 468.58668

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCC4=C(C=C(N4)C5=CC=CC=C5)C(=O)NC6=CC=CC(=C6)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CCC4=C(C=C(N4)C5=CC=CC=C5)C(=O)NC6=CC=CC(=C6)C(=O)O

InChI

InChI=1S/C30H32N2O3/c33-28(31-24-8-4-7-23(14-24)29(34)35)25-15-27(22-5-2-1-3-6-22)32-26(25)9-10-30-16-19-11-20(17-30)13-21(12-19)18-30/h1-8,14-15,19-21,32H,9-13,16-18H2,(H,31,33)(H,34,35)