[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-(phenoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(phenoxymethyl)-2-benzofurancarboxylic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(phenoxymethyl)coumarilic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C27H25NO5 MolecularWeight: 443.4911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)COC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)COC4=CC=CC=C4

InChI

InChI=1S/C27H25NO5/c1-4-14-28-18(2)15-22(19(28)3)24(29)17-32-27(30)26-23(16-31-20-10-6-5-7-11-20)21-12-8-9-13-25(21)33-26/h4-13,15H,1,14,16-17H2,2-3H3