4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)thiophen-2-yl]benzoic acid

Systemtic Name: 4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)thiophen-2-yl]benzoic acid Openeye Name: 4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)-2-thienyl]benzoic acid CAS Name: 4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)-2-thiophenyl]benzoic acid IUPAC Name: 4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)thiophen-2-yl]benzoic acid Traditional Name: 4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)-2-thienyl]benzoic acid Formula: C23H24N2O2S MolecularWeight: 392.51386

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=NC(=CN=C21)C3=CC=C(S3)C4=CC=C(C=C4)C(=O)O)(C)C)C

Isomeric SMILES

CC1(CCC(C2=NC(=CN=C21)C3=CC=C(S3)C4=CC=C(C=C4)C(=O)O)(C)C)C

InChI

InChI=1S/C23H24N2O2S/c1-22(2)11-12-23(3,4)20-19(22)24-13-16(25-20)18-10-9-17(28-18)14-5-7-15(8-6-14)21(26)27/h5-10,13H,11-12H2,1-4H3,(H,26,27)