(E)-4-[2-[methyl(propan-2-yl)amino]-1-oxidanyl-1-phenyl-ethoxy]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[2-[methyl(propan-2-yl)amino]-1-oxidanyl-1-phenyl-ethoxy]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[1-hydroxy-2-[isopropyl(methyl)amino]-1-phenyl-ethoxy]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[1-hydroxy-2-[methyl(propan-2-yl)amino]-1-phenylethoxy]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[1-hydroxy-2-[methyl(propan-2-yl)amino]-1-phenylethoxy]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[1-hydroxy-2-[isopropyl(methyl)amino]-1-phenyl-ethoxy]-4-keto-but-2-enoic acid Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C)CC(C1=CC=CC=C1)(O)OC(=O)C=CC(=O)O

Isomeric SMILES

CC(C)N(C)CC(C1=CC=CC=C1)(O)OC(=O)/C=C/C(=O)O

InChI

InChI=1S/C16H21NO5/c1-12(2)17(3)11-16(21,13-7-5-4-6-8-13)22-15(20)10-9-14(18)19/h4-10,12,21H,11H2,1-3H3,(H,18,19)/b10-9+