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

Systemtic Name: 4-[[4-[3-oxidanyl-2-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]phenyl]carbamoylamino]benzoic acid Openeye Name: 4-[[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]phenyl]carbamoylamino]benzoic acid CAS Name: 4-[[[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]anilino]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]phenyl]carbamoylamino]benzoic acid Traditional Name: 4-[[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]phenyl]carbamoylamino]benzoic acid Formula: C26H29N3O6 MolecularWeight: 479.52496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(CNC(CC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(=O)O)CO)O

Isomeric SMILES

C1=CC=C(C=C1)OCC(CNC(CC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(=O)O)CO)O

InChI

InChI=1S/C26H29N3O6/c30-16-22(27-15-23(31)17-35-24-4-2-1-3-5-24)14-18-6-10-20(11-7-18)28-26(34)29-21-12-8-19(9-13-21)25(32)33/h1-13,22-23,27,30-31H,14-17H2,(H,32,33)(H2,28,29,34)