3-[[3,5-dimethyl-4-[3-(oxan-4-ylmethyl)-4-oxidanyl-phenoxy]phenyl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[3,5-dimethyl-4-[3-(oxan-4-ylmethyl)-4-oxidanyl-phenoxy]phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-[4-hydroxy-3-(tetrahydropyran-4-ylmethyl)phenoxy]-3,5-dimethyl-anilino]-3-oxo-propanoic acid CAS Name: 3-[4-[4-hydroxy-3-(4-oxanylmethyl)phenoxy]-3,5-dimethylanilino]-3-oxopropanoic acid IUPAC Name: 3-[4-[4-hydroxy-3-(oxan-4-ylmethyl)phenoxy]-3,5-dimethylanilino]-3-oxopropanoic acid Traditional Name: 3-[4-[4-hydroxy-3-(tetrahydropyran-4-ylmethyl)phenoxy]-3,5-dimethyl-anilino]-3-keto-propionic acid Formula: C23H27NO6 MolecularWeight: 413.46358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)CC3CCOCC3)C)NC(=O)CC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)CC3CCOCC3)C)NC(=O)CC(=O)O

InChI

InChI=1S/C23H27NO6/c1-14-9-18(24-21(26)13-22(27)28)10-15(2)23(14)30-19-3-4-20(25)17(12-19)11-16-5-7-29-8-6-16/h3-4,9-10,12,16,25H,5-8,11,13H2,1-2H3,(H,24,26)(H,27,28)