O1-ethyl O4-[(2R)-1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-[(2R)-1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[(1R)-2-(2-isopropyl-6-methyl-anilino)-1-methyl-2-oxo-ethyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: 1-O-ethyl 4-O-[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[(1R)-2-(2-isopropyl-6-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OC(C)C(=O)NC1=C(C=CC=C1C(C)C)C

Isomeric SMILES

CCOC(=O)/C=C/C(=O)O[C@H](C)C(=O)NC1=C(C=CC=C1C(C)C)C

InChI

InChI=1S/C19H25NO5/c1-6-24-16(21)10-11-17(22)25-14(5)19(23)20-18-13(4)8-7-9-15(18)12(2)3/h7-12,14H,6H2,1-5H3,(H,20,23)/b11-10+/t14-/m1/s1