methyl (4E)-4-[(2-hydroxyphenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxidanylidene-pyrrole-3-carboxylate

Systemtic Name: methyl (4E)-4-[(2-hydroxyphenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxidanylidene-pyrrole-3-carboxylate Openeye Name: methyl (4E)-4-[(2-hydroxyphenyl)methylene]-1-isobutyl-2-methyl-5-oxo-pyrrole-3-carboxylate CAS Name: (4E)-4-[(2-hydroxyphenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxo-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4E)-4-[(2-hydroxyphenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxopyrrole-3-carboxylate Traditional Name: (4E)-1-isobutyl-5-keto-2-methyl-4-salicylidene-2-pyrroline-3-carboxylic acid methyl ester Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC=CC=C2O)C(=O)N1CC(C)C)C(=O)OC

Isomeric SMILES

CC1=C(/C(=C\C2=CC=CC=C2O)/C(=O)N1CC(C)C)C(=O)OC

InChI

InChI=1S/C18H21NO4/c1-11(2)10-19-12(3)16(18(22)23-4)14(17(19)21)9-13-7-5-6-8-15(13)20/h5-9,11,20H,10H2,1-4H3/b14-9+