4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-pyrrol-2-yl]benzoic acid

Systemtic Name: 4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(1,1,4,4-tetramethyltetralin-6-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(1,1,4,4-tetramethyltetralin-6-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C25H27NO2 MolecularWeight: 373.48738

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=C1C=CC(=C2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)(C)C)C

Isomeric SMILES

CC1(CCC(C2=C1C=CC(=C2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)(C)C)C

InChI

InChI=1S/C25H27NO2/c1-24(2)13-14-25(3,4)20-15-18(9-10-19(20)24)22-12-11-21(26-22)16-5-7-17(8-6-16)23(27)28/h5-12,15,26H,13-14H2,1-4H3,(H,27,28)