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

Systemtic Name: 3-[[4-[3-(4-hydroxyphenyl)-4-oxidanyl-phenoxy]-3,5-dimethyl-phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-[4-hydroxy-3-(4-hydroxyphenyl)phenoxy]-3,5-dimethyl-anilino]-3-oxo-propanoic acid CAS Name: 3-[4-[4-hydroxy-3-(4-hydroxyphenyl)phenoxy]-3,5-dimethylanilino]-3-oxopropanoic acid IUPAC Name: 3-[4-[4-hydroxy-3-(4-hydroxyphenyl)phenoxy]-3,5-dimethylanilino]-3-oxopropanoic acid Traditional Name: 3-[4-[4-hydroxy-3-(4-hydroxyphenyl)phenoxy]-3,5-dimethyl-anilino]-3-keto-propionic acid Formula: C23H21NO6 MolecularWeight: 407.41594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)C3=CC=C(C=C3)O)C)NC(=O)CC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)C3=CC=C(C=C3)O)C)NC(=O)CC(=O)O

InChI

InChI=1S/C23H21NO6/c1-13-9-16(24-21(27)12-22(28)29)10-14(2)23(13)30-18-7-8-20(26)19(11-18)15-3-5-17(25)6-4-15/h3-11,25-26H,12H2,1-2H3,(H,24,27)(H,28,29)