4-[2-[8,8-dimethyl-5-(4-methylphenyl)-7H-naphthalen-2-yl]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[8,8-dimethyl-5-(4-methylphenyl)-7H-naphthalen-2-yl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[8,8-dimethyl-5-(p-tolyl)-7H-naphthalen-2-yl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[8,8-dimethyl-5-(4-methylphenyl)-7H-naphthalen-2-yl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[8,8-dimethyl-5-(4-methylphenyl)-7H-naphthalen-2-yl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[8,8-dimethyl-5-(p-tolyl)-7H-naphthalen-2-yl]acetyl]amino]benzoic acid Formula: C28H27NO3 MolecularWeight: 425.51888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27NO3/c1-18-4-7-20(8-5-18)23-14-15-28(2,3)25-16-19(6-13-24(23)25)17-26(30)29-22-11-9-21(10-12-22)27(31)32/h4-14,16H,15,17H2,1-3H3,(H,29,30)(H,31,32)