4-[[[4-(2-carboxyethylcarbamoyl)phenyl]methyl-(4-propan-2-ylcyclohexyl)carbamoyl]amino]benzoic acid

Systemtic Name: 4-[[[4-(2-carboxyethylcarbamoyl)phenyl]methyl-(4-propan-2-ylcyclohexyl)carbamoyl]amino]benzoic acid Openeye Name: 4-[[[4-(2-carboxyethylcarbamoyl)phenyl]methyl-(4-isopropylcyclohexyl)carbamoyl]amino]benzoic acid CAS Name: 4-[[[[4-[(2-carboxyethylamino)-oxomethyl]phenyl]methyl-(4-propan-2-ylcyclohexyl)amino]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[[4-(2-carboxyethylcarbamoyl)phenyl]methyl-(4-propan-2-ylcyclohexyl)carbamoyl]amino]benzoic acid Traditional Name: 4-[[[4-(2-carboxyethylcarbamoyl)benzyl]-(4-isopropylcyclohexyl)carbamoyl]amino]benzoic acid Formula: C28H35N3O6 MolecularWeight: 509.594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C28H35N3O6/c1-18(2)20-9-13-24(14-10-20)31(28(37)30-23-11-7-22(8-12-23)27(35)36)17-19-3-5-21(6-4-19)26(34)29-16-15-25(32)33/h3-8,11-12,18,20,24H,9-10,13-17H2,1-2H3,(H,29,34)(H,30,37)(H,32,33)(H,35,36)