3-[[[4-(2-carboxyethylcarbamoyl)phenyl]methyl-(2-ethylhexyl)carbamoyl]amino]benzoic acid

Systemtic Name: 3-[[[4-(2-carboxyethylcarbamoyl)phenyl]methyl-(2-ethylhexyl)carbamoyl]amino]benzoic acid Openeye Name: 3-[[[4-(2-carboxyethylcarbamoyl)phenyl]methyl-(2-ethylhexyl)carbamoyl]amino]benzoic acid CAS Name: 3-[[[[4-[(2-carboxyethylamino)-oxomethyl]phenyl]methyl-(2-ethylhexyl)amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[[4-(2-carboxyethylcarbamoyl)phenyl]methyl-(2-ethylhexyl)carbamoyl]amino]benzoic acid Traditional Name: 3-[[[4-(2-carboxyethylcarbamoyl)benzyl]-(2-ethylhexyl)carbamoyl]amino]benzoic acid Formula: C27H35N3O6 MolecularWeight: 497.5833

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN(CC1=CC=C(C=C1)C(=O)NCCC(=O)O)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCCCC(CC)CN(CC1=CC=C(C=C1)C(=O)NCCC(=O)O)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C27H35N3O6/c1-3-5-7-19(4-2)17-30(27(36)29-23-9-6-8-22(16-23)26(34)35)18-20-10-12-21(13-11-20)25(33)28-15-14-24(31)32/h6,8-13,16,19H,3-5,7,14-15,17-18H2,1-2H3,(H,28,33)(H,29,36)(H,31,32)(H,34,35)