4-[4-[2-methyl-2-[[2-oxidanyl-2-(3-oxidanylidene-6-phenylmethoxy-4H-1,4-benzoxazin-8-yl)ethyl]amino]propyl]phenoxy]butanoic acid

Systemtic Name: 4-[4-[2-methyl-2-[[2-oxidanyl-2-(3-oxidanylidene-6-phenylmethoxy-4H-1,4-benzoxazin-8-yl)ethyl]amino]propyl]phenoxy]butanoic acid Openeye Name: 4-[4-[2-[[2-(6-benzyloxy-3-oxo-4H-1,4-benzoxazin-8-yl)-2-hydroxy-ethyl]amino]-2-methyl-propyl]phenoxy]butanoic acid CAS Name: 4-[4-[2-[[2-hydroxy-2-(3-oxo-6-phenylmethoxy-4H-1,4-benzoxazin-8-yl)ethyl]amino]-2-methylpropyl]phenoxy]butanoic acid IUPAC Name: 4-[4-[2-[[2-hydroxy-2-(3-oxo-6-phenylmethoxy-4H-1,4-benzoxazin-8-yl)ethyl]amino]-2-methylpropyl]phenoxy]butanoic acid Traditional Name: 4-[4-[2-[[2-(6-benzoxy-3-keto-4H-1,4-benzoxazin-8-yl)-2-hydroxy-ethyl]amino]-2-methyl-propyl]phenoxy]butyric acid Formula: C31H36N2O7 MolecularWeight: 548.62674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=C(C=C1)OCCCC(=O)O)NCC(C2=CC(=CC3=C2OCC(=O)N3)OCC4=CC=CC=C4)O

Isomeric SMILES

CC(C)(CC1=CC=C(C=C1)OCCCC(=O)O)NCC(C2=CC(=CC3=C2OCC(=O)N3)OCC4=CC=CC=C4)O

InChI

InChI=1S/C31H36N2O7/c1-31(2,17-21-10-12-23(13-11-21)38-14-6-9-29(36)37)32-18-27(34)25-15-24(39-19-22-7-4-3-5-8-22)16-26-30(25)40-20-28(35)33-26/h3-5,7-8,10-13,15-16,27,32,34H,6,9,14,17-20H2,1-2H3,(H,33,35)(H,36,37)