2-[carboxycarbonyl-[4-(hexylcarbamoylamino)naphthalen-1-yl]amino]benzoic acid

Systemtic Name: 2-[carboxycarbonyl-[4-(hexylcarbamoylamino)naphthalen-1-yl]amino]benzoic acid Openeye Name: 2-[[4-(hexylcarbamoylamino)-1-naphthyl]-oxalo-amino]benzoic acid CAS Name: 2-[[4-[[(hexylamino)-oxomethyl]amino]-1-naphthalenyl]-oxaloamino]benzoic acid IUPAC Name: 2-[[4-(hexylcarbamoylamino)naphthalen-1-yl]-oxaloamino]benzoic acid Traditional Name: 2-[[4-(hexylcarbamoylamino)-1-naphthyl]-oxalo-amino]benzoic acid Formula: C26H27N3O6 MolecularWeight: 477.50908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)NC1=CC=C(C2=CC=CC=C21)N(C3=CC=CC=C3C(=O)O)C(=O)C(=O)O

Isomeric SMILES

CCCCCCNC(=O)NC1=CC=C(C2=CC=CC=C21)N(C3=CC=CC=C3C(=O)O)C(=O)C(=O)O

InChI

InChI=1S/C26H27N3O6/c1-2-3-4-9-16-27-26(35)28-20-14-15-22(18-11-6-5-10-17(18)20)29(23(30)25(33)34)21-13-8-7-12-19(21)24(31)32/h5-8,10-15H,2-4,9,16H2,1H3,(H,31,32)(H,33,34)(H2,27,28,35)