methyl 4-[(E)-3-[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethoxy]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethoxy]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethoxy]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[2-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-oxoethoxy]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethoxy]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethoxy]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)COC(=O)C=CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H25NO5/c1-14(2)23-15(3)12-19(16(23)4)20(24)13-28-21(25)11-8-17-6-9-18(10-7-17)22(26)27-5/h6-12,14H,13H2,1-5H3/b11-8+