4-[4-[2-[(5-chloranyl-2-pentoxy-phenyl)carbonylamino]ethyl]phenyl]benzoic acid

Systemtic Name: 4-[4-[2-[(5-chloranyl-2-pentoxy-phenyl)carbonylamino]ethyl]phenyl]benzoic acid Openeye Name: 4-[4-[2-[(5-chloro-2-pentoxy-benzoyl)amino]ethyl]phenyl]benzoic acid CAS Name: 4-[4-[2-[[(5-chloro-2-pentoxyphenyl)-oxomethyl]amino]ethyl]phenyl]benzoic acid IUPAC Name: 4-[4-[2-[(5-chloro-2-pentoxybenzoyl)amino]ethyl]phenyl]benzoic acid Traditional Name: 4-[4-[2-[(2-amoxy-5-chloro-benzoyl)amino]ethyl]phenyl]benzoic acid Formula: C27H28ClNO4 MolecularWeight: 465.96852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C27H28ClNO4/c1-2-3-4-17-33-25-14-13-23(28)18-24(25)26(30)29-16-15-19-5-7-20(8-6-19)21-9-11-22(12-10-21)27(31)32/h5-14,18H,2-4,15-17H2,1H3,(H,29,30)(H,31,32)