3-[[4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]phenyl]carbamoylamino]benzoic acid

Systemtic Name: 3-[[4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]phenyl]carbamoylamino]benzoic acid Openeye Name: 3-[[4-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]phenyl]carbamoylamino]benzoic acid CAS Name: 3-[[[4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]anilino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]carbamoylamino]benzoic acid Traditional Name: 3-[[4-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]phenyl]carbamoylamino]benzoic acid Formula: C26H26N2O6 MolecularWeight: 462.49444

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=C(C=C2)NC(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=C(C=C2)NC(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C26H26N2O6/c1-3-5-22-23(13-12-21(16(2)29)24(22)30)34-15-17-8-10-19(11-9-17)27-26(33)28-20-7-4-6-18(14-20)25(31)32/h4,6-14,30H,3,5,15H2,1-2H3,(H,31,32)(H2,27,28,33)