4-[4-carboxy-3-[[4-(methylamino)cyclohexyl]carbamoyl]phenyl]-2-ethanoyl-benzoic acid

Systemtic Name: 4-[4-carboxy-3-[[4-(methylamino)cyclohexyl]carbamoyl]phenyl]-2-ethanoyl-benzoic acid Openeye Name: 2-acetyl-4-[4-carboxy-3-[[4-(methylamino)cyclohexyl]carbamoyl]phenyl]benzoic acid CAS Name: 2-acetyl-4-[4-carboxy-3-[[[4-(methylamino)cyclohexyl]amino]-oxomethyl]phenyl]benzoic acid IUPAC Name: 2-acetyl-4-[4-carboxy-3-[[4-(methylamino)cyclohexyl]carbamoyl]phenyl]benzoic acid Traditional Name: 2-acetyl-4-[4-carboxy-3-[[4-(methylamino)cyclohexyl]carbamoyl]phenyl]benzoic acid Formula: C24H26N2O6 MolecularWeight: 438.47304

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)C2=CC(=C(C=C2)C(=O)O)C(=O)NC3CCC(CC3)NC)C(=O)O

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)C2=CC(=C(C=C2)C(=O)O)C(=O)NC3CCC(CC3)NC)C(=O)O

InChI

InChI=1S/C24H26N2O6/c1-13(27)20-11-14(3-9-18(20)23(29)30)15-4-10-19(24(31)32)21(12-15)22(28)26-17-7-5-16(25-2)6-8-17/h3-4,9-12,16-17,25H,5-8H2,1-2H3,(H,26,28)(H,29,30)(H,31,32)