ethane; (3Z)-2-oxidanylidene-3-[(3-phenoxyphenyl)methylidene]pyrrolidine-1-carboxylic acid

Systemtic Name: ethane; (3Z)-2-oxidanylidene-3-[(3-phenoxyphenyl)methylidene]pyrrolidine-1-carboxylic acid Openeye Name: ethane; (3Z)-2-oxo-3-[(3-phenoxyphenyl)methylene]pyrrolidine-1-carboxylic acid CAS Name: ethane; (3Z)-2-oxo-3-[(3-phenoxyphenyl)methylidene]-1-pyrrolidinecarboxylic acid IUPAC Name: ethane; (3Z)-2-oxo-3-[(3-phenoxyphenyl)methylidene]pyrrolidine-1-carboxylic acid Traditional Name: ethane; (3Z)-2-keto-3-(3-phenoxybenzylidene)pyrrolidine-1-carboxylic acid Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CC.C1CN(C(=O)C1=CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC.C\1CN(C(=O)/C1=C\C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H15NO4.C2H6/c20-17-14(9-10-19(17)18(21)22)11-13-5-4-8-16(12-13)23-15-6-2-1-3-7-15;1-2/h1-8,11-12H,9-10H2,(H,21,22);1-2H3/b14-11-;