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

Systemtic Name: 4-[2-oxidanylidene-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-pyrimidin-6-yl]benzoic acid Openeye Name: 4-[2-oxo-4-(1,1,4,4-tetramethyltetralin-6-yl)-1H-pyrimidin-6-yl]benzoic acid CAS Name: 4-[2-oxo-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-pyrimidin-6-yl]benzoic acid IUPAC Name: 4-[2-oxo-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-pyrimidin-6-yl]benzoic acid Traditional Name: 4-[2-keto-4-(1,1,4,4-tetramethyltetralin-6-yl)-1H-pyrimidin-6-yl]benzoic acid Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O3/c1-24(2)11-12-25(3,4)19-13-17(9-10-18(19)24)21-14-20(26-23(30)27-21)15-5-7-16(8-6-15)22(28)29/h5-10,13-14H,11-12H2,1-4H3,(H,28,29)(H,26,27,30)