(E)-4-[[2-methyl-4-(3-methylbutoxy)phenyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[2-methyl-4-(3-methylbutoxy)phenyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(4-isopentyloxy-2-methyl-anilino)-4-oxo-but-2-enoic acid CAS Name: (E)-4-[2-methyl-4-(3-methylbutoxy)anilino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2-methyl-4-(3-methylbutoxy)anilino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-(4-isoamoxy-2-methyl-anilino)-4-keto-but-2-enoic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCC(C)C)NC(=O)C=CC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCCC(C)C)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C16H21NO4/c1-11(2)8-9-21-13-4-5-14(12(3)10-13)17-15(18)6-7-16(19)20/h4-7,10-11H,8-9H2,1-3H3,(H,17,18)(H,19,20)/b7-6+