3-[[4-[3-(dimethylaminomethyl)-4-oxidanyl-phenoxy]phenyl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[4-[3-(dimethylaminomethyl)-4-oxidanyl-phenoxy]phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-[3-(dimethylaminomethyl)-4-hydroxy-phenoxy]anilino]-3-oxo-propanoic acid CAS Name: 3-[4-[3-(dimethylaminomethyl)-4-hydroxyphenoxy]anilino]-3-oxopropanoic acid IUPAC Name: 3-[4-[3-(dimethylaminomethyl)-4-hydroxyphenoxy]anilino]-3-oxopropanoic acid Traditional Name: 3-[4-[3-(dimethylaminomethyl)-4-hydroxy-phenoxy]anilino]-3-keto-propionic acid Formula: C18H20N2O5 MolecularWeight: 344.3618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C=CC(=C1)OC2=CC=C(C=C2)NC(=O)CC(=O)O)O

Isomeric SMILES

CN(C)CC1=C(C=CC(=C1)OC2=CC=C(C=C2)NC(=O)CC(=O)O)O

InChI

InChI=1S/C18H20N2O5/c1-20(2)11-12-9-15(7-8-16(12)21)25-14-5-3-13(4-6-14)19-17(22)10-18(23)24/h3-9,21H,10-11H2,1-2H3,(H,19,22)(H,23,24)