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

Systemtic Name: 4-[4-[2-[(5-chloranyl-2-heptoxy-phenyl)carbonylamino]ethyl]phenyl]benzoic acid Openeye Name: 4-[4-[2-[(5-chloro-2-heptoxy-benzoyl)amino]ethyl]phenyl]benzoic acid CAS Name: 4-[4-[2-[[(5-chloro-2-heptoxyphenyl)-oxomethyl]amino]ethyl]phenyl]benzoic acid IUPAC Name: 4-[4-[2-[(5-chloro-2-heptoxybenzoyl)amino]ethyl]phenyl]benzoic acid Traditional Name: 4-[4-[2-[(5-chloro-2-heptoxy-benzoyl)amino]ethyl]phenyl]benzoic acid Formula: C29H32ClNO4 MolecularWeight: 494.02168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C29H32ClNO4/c1-2-3-4-5-6-19-35-27-16-15-25(30)20-26(27)28(32)31-18-17-21-7-9-22(10-8-21)23-11-13-24(14-12-23)29(33)34/h7-16,20H,2-6,17-19H2,1H3,(H,31,32)(H,33,34)