3-(2-ethoxy-2-oxidanylidene-ethyl)-5-methyl-2-oxidanylidene-1-(phenylmethyl)-3H-pyrrole-4-carboxylic acid

Systemtic Name: 3-(2-ethoxy-2-oxidanylidene-ethyl)-5-methyl-2-oxidanylidene-1-(phenylmethyl)-3H-pyrrole-4-carboxylic acid Openeye Name: 1-benzyl-3-(2-ethoxy-2-oxo-ethyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylic acid CAS Name: 3-(2-ethoxy-2-oxoethyl)-5-methyl-2-oxo-1-(phenylmethyl)-3H-pyrrole-4-carboxylic acid IUPAC Name: 1-benzyl-3-(2-ethoxy-2-oxoethyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylic acid Traditional Name: 1-benzyl-4-(2-ethoxy-2-keto-ethyl)-5-keto-2-methyl-2-pyrroline-3-carboxylic acid Formula: C17H19NO5 MolecularWeight: 317.33646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=C(N(C1=O)CC2=CC=CC=C2)C)C(=O)O

Isomeric SMILES

CCOC(=O)CC1C(=C(N(C1=O)CC2=CC=CC=C2)C)C(=O)O

InChI

InChI=1S/C17H19NO5/c1-3-23-14(19)9-13-15(17(21)22)11(2)18(16(13)20)10-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3,(H,21,22)