(E)-4-[4-[2-azanyl-2-(4-methylphenyl)ethyl]-2-oxidanyl-phenoxy]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[4-[2-azanyl-2-(4-methylphenyl)ethyl]-2-oxidanyl-phenoxy]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[4-[2-amino-2-(p-tolyl)ethyl]-2-hydroxy-phenoxy]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[4-[2-amino-2-(4-methylphenyl)ethyl]-2-hydroxyphenoxy]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[4-[2-amino-2-(4-methylphenyl)ethyl]-2-hydroxyphenoxy]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[4-[2-amino-2-(p-tolyl)ethyl]-2-hydroxy-phenoxy]-4-keto-but-2-enoic acid Formula: C19H19NO5 MolecularWeight: 341.35786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC2=CC(=C(C=C2)OC(=O)C=CC(=O)O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)C(CC2=CC(=C(C=C2)OC(=O)/C=C/C(=O)O)O)N

InChI

InChI=1S/C19H19NO5/c1-12-2-5-14(6-3-12)15(20)10-13-4-7-17(16(21)11-13)25-19(24)9-8-18(22)23/h2-9,11,15,21H,10,20H2,1H3,(H,22,23)/b9-8+