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

Systemtic Name: 3-[[2-(cycloheptylmethyl)-5-naphthalen-2-yl-1H-pyrrol-3-yl]carbonylamino]benzoic acid Openeye Name: 3-[[2-(cycloheptylmethyl)-5-(2-naphthyl)-1H-pyrrole-3-carbonyl]amino]benzoic acid CAS Name: 3-[[[2-(cycloheptylmethyl)-5-(2-naphthalenyl)-1H-pyrrol-3-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-(cycloheptylmethyl)-5-naphthalen-2-yl-1H-pyrrole-3-carbonyl]amino]benzoic acid Traditional Name: 3-[[2-(cycloheptylmethyl)-5-(2-naphthyl)-1H-pyrrole-3-carbonyl]amino]benzoic acid Formula: C30H30N2O3 MolecularWeight: 466.5708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)CC2=C(C=C(N2)C3=CC4=CC=CC=C4C=C3)C(=O)NC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1CCCC(CC1)CC2=C(C=C(N2)C3=CC4=CC=CC=C4C=C3)C(=O)NC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C30H30N2O3/c33-29(31-25-13-7-12-24(18-25)30(34)35)26-19-27(23-15-14-21-10-5-6-11-22(21)17-23)32-28(26)16-20-8-3-1-2-4-9-20/h5-7,10-15,17-20,32H,1-4,8-9,16H2,(H,31,33)(H,34,35)