O4-[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 4-O-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester O1-ethyl ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)C1=C(N(C(=C1)C)CC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)C1=C(N(C(=C1)C)CC2=CC=CC=C2)C

InChI

InChI=1S/C21H23NO5/c1-4-26-20(24)10-11-21(25)27-14-19(23)18-12-15(2)22(16(18)3)13-17-8-6-5-7-9-17/h5-12H,4,13-14H2,1-3H3/b11-10+