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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CCC2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1C(CN(C1=O)CCC2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C21H20N2O6/c24-18-11-15(12-23(18)9-8-13-4-2-1-3-5-13)19(25)22-17-10-14(20(26)27)6-7-16(17)21(28)29/h1-7,10,15H,8-9,11-12H2,(H,22,25)(H,26,27)(H,28,29)