O1-ethyl O4-[2-[(3-methylphenyl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-[2-[(3-methylphenyl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] (E)-but-2-enedioate Openeye Name: O4-[2-(N-benzyl-3-methyl-anilino)-2-oxo-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[2-(3-methyl-N-(phenylmethyl)anilino)-2-oxoethyl] ester IUPAC Name: 4-O-[2-(N-benzyl-3-methylanilino)-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[2-(N-benzyl-3-methyl-anilino)-2-keto-ethyl] ester O1-ethyl ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)N(CC1=CC=CC=C1)C2=CC=CC(=C2)C

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)N(CC1=CC=CC=C1)C2=CC=CC(=C2)C

InChI

InChI=1S/C22H23NO5/c1-3-27-21(25)12-13-22(26)28-16-20(24)23(15-18-9-5-4-6-10-18)19-11-7-8-17(2)14-19/h4-14H,3,15-16H2,1-2H3/b13-12+