2-chloranyl-5-[[2-methyl-3-[4-(5-phenylpentoxy)phenyl]propanoyl]amino]benzoic acid

Systemtic Name: 2-chloranyl-5-[[2-methyl-3-[4-(5-phenylpentoxy)phenyl]propanoyl]amino]benzoic acid Openeye Name: 2-chloro-5-[[2-methyl-3-[4-(5-phenylpentoxy)phenyl]propanoyl]amino]benzoic acid CAS Name: 2-chloro-5-[[2-methyl-1-oxo-3-[4-(5-phenylpentoxy)phenyl]propyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-methyl-3-[4-(5-phenylpentoxy)phenyl]propanoyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-methyl-3-[4-(5-phenylpentoxy)phenyl]propanoyl]amino]benzoic acid Formula: C28H30ClNO4 MolecularWeight: 479.9951

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OCCCCCC2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)OCCCCCC2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C28H30ClNO4/c1-20(27(31)30-23-13-16-26(29)25(19-23)28(32)33)18-22-11-14-24(15-12-22)34-17-7-3-6-10-21-8-4-2-5-9-21/h2,4-5,8-9,11-16,19-20H,3,6-7,10,17-18H2,1H3,(H,30,31)(H,32,33)