O1-ethyl O4-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 4-O-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C19H23NO6 MolecularWeight: 361.38902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)C1=CC=C(C=C1)NC(=O)CC(C)C

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)C1=CC=C(C=C1)NC(=O)CC(C)C

InChI

InChI=1S/C19H23NO6/c1-4-25-18(23)9-10-19(24)26-12-16(21)14-5-7-15(8-6-14)20-17(22)11-13(2)3/h5-10,13H,4,11-12H2,1-3H3,(H,20,22)/b10-9+