5-[carboxymethyl-[3-(3-fluoranyl-4-phenyl-phenyl)-5-phenyl-pentan-2-yl]carbamoyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[carboxymethyl-[3-(3-fluoranyl-4-phenyl-phenyl)-5-phenyl-pentan-2-yl]carbamoyl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[carboxymethyl-[2-(3-fluoro-4-phenyl-phenyl)-1-methyl-4-phenyl-butyl]carbamoyl]benzene-1,3-dicarboxylic acid CAS Name: 5-[[carboxymethyl-[3-(3-fluoro-4-phenylphenyl)-5-phenylpentan-2-yl]amino]-oxomethyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[carboxymethyl-[3-(3-fluoro-4-phenylphenyl)-5-phenylpentan-2-yl]carbamoyl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[carboxymethyl-[2-(3-fluoro-4-phenyl-phenyl)-1-methyl-4-phenyl-butyl]carbamoyl]isophthalic acid Formula: C34H30FNO7 MolecularWeight: 583.602903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCC1=CC=CC=C1)C2=CC(=C(C=C2)C3=CC=CC=C3)F)N(CC(=O)O)C(=O)C4=CC(=CC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

CC(C(CCC1=CC=CC=C1)C2=CC(=C(C=C2)C3=CC=CC=C3)F)N(CC(=O)O)C(=O)C4=CC(=CC(=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C34H30FNO7/c1-21(36(20-31(37)38)32(39)25-16-26(33(40)41)18-27(17-25)34(42)43)28(14-12-22-8-4-2-5-9-22)24-13-15-29(30(35)19-24)23-10-6-3-7-11-23/h2-11,13,15-19,21,28H,12,14,20H2,1H3,(H,37,38)(H,40,41)(H,42,43)