5-[(2-benzo[e][1,3]benzoxazol-2-ylphenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(2-benzo[e][1,3]benzoxazol-2-ylphenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(2-benzo[e][1,3]benzoxazol-2-ylanilino)-5-oxo-pentanoic acid CAS Name: 5-[2-(2-benzo[e][1,3]benzoxazolyl)anilino]-5-oxopentanoic acid IUPAC Name: 5-(2-benzo[e][1,3]benzoxazol-2-ylanilino)-5-oxopentanoic acid Traditional Name: 5-(2-benzo[e][1,3]benzoxazol-2-ylanilino)-5-keto-valeric acid Formula: C22H18N2O4 MolecularWeight: 374.38932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2N=C(O3)C4=CC=CC=C4NC(=O)CCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(O3)C4=CC=CC=C4NC(=O)CCCC(=O)O

InChI

InChI=1S/C22H18N2O4/c25-19(10-5-11-20(26)27)23-17-9-4-3-8-16(17)22-24-21-15-7-2-1-6-14(15)12-13-18(21)28-22/h1-4,6-9,12-13H,5,10-11H2,(H,23,25)(H,26,27)