2-[[1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[1-(4-ethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]terephthalic acid CAS Name: 2-[[[1-(4-ethylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]terephthalic acid Traditional Name: 2-[[1-(4-ethylphenyl)-5-keto-pyrrolidine-3-carbonyl]amino]terephthalic acid Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C21H20N2O6/c1-2-12-3-6-15(7-4-12)23-11-14(10-18(23)24)19(25)22-17-9-13(20(26)27)5-8-16(17)21(28)29/h3-9,14H,2,10-11H2,1H3,(H,22,25)(H,26,27)(H,28,29)