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

Systemtic Name: 3-[[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrol-3-yl]carbonylamino]benzoic acid Openeye Name: 3-[[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrole-3-carbonyl]amino]benzoic acid CAS Name: 3-[[[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrol-3-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrole-3-carbonyl]amino]benzoic acid Traditional Name: 3-[[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrole-3-carbonyl]amino]benzoic acid Formula: C29H30N2O3 MolecularWeight: 454.5601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N2O3/c32-27(30-23-8-4-7-22(12-23)28(33)34)24-13-25(21-5-2-1-3-6-21)31-26(24)17-29-14-18-9-19(15-29)11-20(10-18)16-29/h1-8,12-13,18-20,31H,9-11,14-17H2,(H,30,32)(H,33,34)