3-[6-[2-(2-phenylazanyl-1,3-benzoxazol-6-yl)ethanoylamino]pyridin-3-yl]butanoic acid

Systemtic Name: 3-[6-[2-(2-phenylazanyl-1,3-benzoxazol-6-yl)ethanoylamino]pyridin-3-yl]butanoic acid Openeye Name: 3-[6-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]-3-pyridyl]butanoic acid CAS Name: 3-[6-[[2-(2-anilino-1,3-benzoxazol-6-yl)-1-oxoethyl]amino]-3-pyridinyl]butanoic acid IUPAC Name: 3-[6-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]pyridin-3-yl]butanoic acid Traditional Name: 3-[6-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]-3-pyridyl]butyric acid Formula: C24H22N4O4 MolecularWeight: 430.45588

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C1=CN=C(C=C1)NC(=O)CC2=CC3=C(C=C2)N=C(O3)NC4=CC=CC=C4

Isomeric SMILES

CC(CC(=O)O)C1=CN=C(C=C1)NC(=O)CC2=CC3=C(C=C2)N=C(O3)NC4=CC=CC=C4

InChI

InChI=1S/C24H22N4O4/c1-15(11-23(30)31)17-8-10-21(25-14-17)28-22(29)13-16-7-9-19-20(12-16)32-24(27-19)26-18-5-3-2-4-6-18/h2-10,12,14-15H,11,13H2,1H3,(H,26,27)(H,30,31)(H,25,28,29)