4-[(4-carboxyphenyl)carbamoyl]-1-methyl-5-phenyl-heptane-1,2,3-tricarboxylic acid

Systemtic Name: 4-[(4-carboxyphenyl)carbamoyl]-1-methyl-5-phenyl-heptane-1,2,3-tricarboxylic acid Openeye Name: 4-[(4-carboxyphenyl)carbamoyl]-1-methyl-5-phenyl-heptane-1,2,3-tricarboxylic acid CAS Name: 4-[(4-carboxyanilino)-oxomethyl]-1-methyl-5-phenylheptane-1,2,3-tricarboxylic acid IUPAC Name: 4-[(4-carboxyphenyl)carbamoyl]-1-methyl-5-phenylheptane-1,2,3-tricarboxylic acid Traditional Name: 4-[(4-carboxyphenyl)carbamoyl]-1-methyl-5-phenyl-heptane-1,2,3-tricarboxylic acid Formula: C25H27NO9 MolecularWeight: 485.48318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(C(C(C(C)C(=O)O)C(=O)O)C(=O)O)C(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCC(C1=CC=CC=C1)C(C(C(C(C)C(=O)O)C(=O)O)C(=O)O)C(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C25H27NO9/c1-3-17(14-7-5-4-6-8-14)19(20(25(34)35)18(24(32)33)13(2)22(28)29)21(27)26-16-11-9-15(10-12-16)23(30)31/h4-13,17-20H,3H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35)