4-[heptyl-[[2,4,6-tris(chloranyl)phenyl]carbamoyl]amino]-2-methyl-2-phenoxy-butanoic acid

Systemtic Name: 4-[heptyl-[[2,4,6-tris(chloranyl)phenyl]carbamoyl]amino]-2-methyl-2-phenoxy-butanoic acid Openeye Name: 4-[heptyl-[(2,4,6-trichlorophenyl)carbamoyl]amino]-2-methyl-2-phenoxy-butanoic acid CAS Name: 4-[heptyl-[oxo-(2,4,6-trichloroanilino)methyl]amino]-2-methyl-2-phenoxybutanoic acid IUPAC Name: 4-[heptyl-[(2,4,6-trichlorophenyl)carbamoyl]amino]-2-methyl-2-phenoxybutanoic acid Traditional Name: 4-[heptyl-[(2,4,6-trichlorophenyl)carbamoyl]amino]-2-methyl-2-phenoxy-butyric acid Formula: C25H31Cl3N2O4 MolecularWeight: 529.88364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCC(C)(C(=O)O)OC1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2Cl)Cl)Cl

Isomeric SMILES

CCCCCCCN(CCC(C)(C(=O)O)OC1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C25H31Cl3N2O4/c1-3-4-5-6-10-14-30(24(33)29-22-20(27)16-18(26)17-21(22)28)15-13-25(2,23(31)32)34-19-11-8-7-9-12-19/h7-9,11-12,16-17H,3-6,10,13-15H2,1-2H3,(H,29,33)(H,31,32)