4-[[5,5-dimethyl-8-(3-methylthiophen-2-yl)-6H-naphthalen-2-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[5,5-dimethyl-8-(3-methylthiophen-2-yl)-6H-naphthalen-2-yl]carbonylamino]benzoic acid Openeye Name: 4-[[5,5-dimethyl-8-(3-methyl-2-thienyl)-6H-naphthalene-2-carbonyl]amino]benzoic acid CAS Name: 4-[[[5,5-dimethyl-8-(3-methyl-2-thiophenyl)-6H-naphthalen-2-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[5,5-dimethyl-8-(3-methylthiophen-2-yl)-6H-naphthalene-2-carbonyl]amino]benzoic acid Traditional Name: 4-[[5,5-dimethyl-8-(3-methyl-2-thienyl)-6H-naphthalene-2-carbonyl]amino]benzoic acid Formula: C25H23NO3S MolecularWeight: 417.52002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2=CCC(C3=C2C=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)O)(C)C

Isomeric SMILES

CC1=C(SC=C1)C2=CCC(C3=C2C=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)O)(C)C

InChI

InChI=1S/C25H23NO3S/c1-15-11-13-30-22(15)19-10-12-25(2,3)21-9-6-17(14-20(19)21)23(27)26-18-7-4-16(5-8-18)24(28)29/h4-11,13-14H,12H2,1-3H3,(H,26,27)(H,28,29)