4-[4-[1-[(2-butoxy-5-chloranyl-phenyl)carbonylamino]propan-2-yl]phenyl]benzoic acid

Systemtic Name: 4-[4-[1-[(2-butoxy-5-chloranyl-phenyl)carbonylamino]propan-2-yl]phenyl]benzoic acid Openeye Name: 4-[4-[2-[(2-butoxy-5-chloro-benzoyl)amino]-1-methyl-ethyl]phenyl]benzoic acid CAS Name: 4-[4-[1-[[(2-butoxy-5-chlorophenyl)-oxomethyl]amino]propan-2-yl]phenyl]benzoic acid IUPAC Name: 4-[4-[1-[(2-butoxy-5-chlorobenzoyl)amino]propan-2-yl]phenyl]benzoic acid Traditional Name: 4-[4-[2-[(2-butoxy-5-chloro-benzoyl)amino]-1-methyl-ethyl]phenyl]benzoic acid Formula: C27H28ClNO4 MolecularWeight: 465.96852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Cl)C(=O)NCC(C)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Cl)C(=O)NCC(C)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O

InChI

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