4-[2-[2-(2-phenylazanyl-1,3-benzoxazol-6-yl)ethanoylamino]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[2-(2-phenylazanyl-1,3-benzoxazol-6-yl)ethanoylamino]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]acetyl]amino]benzoic acid CAS Name: 4-[[2-[[2-(2-anilino-1,3-benzoxazol-6-yl)-1-oxoethyl]amino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]acetyl]amino]benzoic acid Formula: C24H20N4O5 MolecularWeight: 444.4394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC3=C(O2)C=C(C=C3)CC(=O)NCC(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC3=C(O2)C=C(C=C3)CC(=O)NCC(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H20N4O5/c29-21(25-14-22(30)26-18-9-7-16(8-10-18)23(31)32)13-15-6-11-19-20(12-15)33-24(28-19)27-17-4-2-1-3-5-17/h1-12H,13-14H2,(H,25,29)(H,26,30)(H,27,28)(H,31,32)