5-[[3-carboxy-4-(2-ethylbutanoylamino)phenyl]methyl]-2-(2-ethylbutanoylamino)benzoic acid

Systemtic Name: 5-[[3-carboxy-4-(2-ethylbutanoylamino)phenyl]methyl]-2-(2-ethylbutanoylamino)benzoic acid Openeye Name: 5-[[3-carboxy-4-(2-ethylbutanoylamino)phenyl]methyl]-2-(2-ethylbutanoylamino)benzoic acid CAS Name: 5-[[3-carboxy-4-[(2-ethyl-1-oxobutyl)amino]phenyl]methyl]-2-[(2-ethyl-1-oxobutyl)amino]benzoic acid IUPAC Name: 5-[[3-carboxy-4-(2-ethylbutanoylamino)phenyl]methyl]-2-(2-ethylbutanoylamino)benzoic acid Traditional Name: 5-[3-carboxy-4-(2-ethylbutanoylamino)benzyl]-2-(2-ethylbutanoylamino)benzoic acid Formula: C27H34N2O6 MolecularWeight: 482.56866

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C=C(C=C1)CC2=CC(=C(C=C2)NC(=O)C(CC)CC)C(=O)O)C(=O)O

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C=C(C=C1)CC2=CC(=C(C=C2)NC(=O)C(CC)CC)C(=O)O)C(=O)O

InChI

InChI=1S/C27H34N2O6/c1-5-18(6-2)24(30)28-22-11-9-16(14-20(22)26(32)33)13-17-10-12-23(21(15-17)27(34)35)29-25(31)19(7-3)8-4/h9-12,14-15,18-19H,5-8,13H2,1-4H3,(H,28,30)(H,29,31)(H,32,33)(H,34,35)