3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2H-pyrrol-5-yl]benzoic acid

Systemtic Name: 3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2H-pyrrol-5-yl]benzoic acid Openeye Name: 3-[4-(1,1,4,4-tetramethyltetralin-6-yl)-2H-pyrrol-5-yl]benzoic acid CAS Name: 3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2H-pyrrol-5-yl]benzoic acid IUPAC Name: 3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2H-pyrrol-5-yl]benzoic acid Traditional Name: 3-[4-(1,1,4,4-tetramethyltetralin-6-yl)-2H-pyrrol-5-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=CCN=C3C4=CC(=CC=C4)C(=O)O)(C)C)C

Isomeric SMILES

CC1(CCC(C2=C1C=CC(=C2)C3=CCN=C3C4=CC(=CC=C4)C(=O)O)(C)C)C

InChI

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