ethanedioate; 4-[1-(3-oxidanylidene-3-phenyl-propyl)pyrrolidin-3-yl]-1,4-benzoxazin-3-one

Systemtic Name: ethanedioate; 4-[1-(3-oxidanylidene-3-phenyl-propyl)pyrrolidin-3-yl]-1,4-benzoxazin-3-one Openeye Name: oxalate; 4-[1-(3-oxo-3-phenyl-propyl)pyrrolidin-3-yl]-1,4-benzoxazin-3-one CAS Name: oxalate; 4-[1-(3-oxo-3-phenylpropyl)-3-pyrrolidinyl]-1,4-benzoxazin-3-one IUPAC Name: oxalate; 4-[1-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-1,4-benzoxazin-3-one Traditional Name: 4-[1-(3-keto-3-phenyl-propyl)pyrrolidin-3-yl]-1,4-benzoxazin-3-one; oxalate Formula: C23H22N2O7-2 MolecularWeight: 438.42998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N2C(=O)COC3=CC=CC=C32)CCC(=O)C4=CC=CC=C4.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1CN(CC1N2C(=O)COC3=CC=CC=C32)CCC(=O)C4=CC=CC=C4.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C21H22N2O3.C2H2O4/c24-19(16-6-2-1-3-7-16)11-13-22-12-10-17(14-22)23-18-8-4-5-9-20(18)26-15-21(23)25;3-1(4)2(5)6/h1-9,17H,10-15H2;(H,3,4)(H,5,6)/p-2