2-[(4E)-2-methyl-5-oxidanylidene-4-(phenylmethylidene)imidazol-1-yl]ethanoic acid; piperazine

Systemtic Name: 2-[(4E)-2-methyl-5-oxidanylidene-4-(phenylmethylidene)imidazol-1-yl]ethanoic acid; piperazine Openeye Name: 2-[(4E)-4-benzylidene-2-methyl-5-oxo-imidazol-1-yl]acetic acid; piperazine CAS Name: 2-[(4E)-2-methyl-5-oxo-4-(phenylmethylene)-1-imidazolyl]acetic acid; piperazine IUPAC Name: 2-[(4E)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]acetic acid; piperazine Traditional Name: 2-[(4E)-4-benzal-5-keto-2-methyl-2-imidazolin-1-yl]acetic acid; piperazine Formula: C30H34N6O6 MolecularWeight: 574.62756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC2=CC=CC=C2)C(=O)N1CC(=O)O.CC1=NC(=CC2=CC=CC=C2)C(=O)N1CC(=O)O.C1CNCCN1

Isomeric SMILES

CC1=N/C(=C/C2=CC=CC=C2)/C(=O)N1CC(=O)O.CC1=N/C(=C/C2=CC=CC=C2)/C(=O)N1CC(=O)O.C1NCCNC1

InChI

InChI=1S/2C13H12N2O3.C4H10N2/c2*1-9-14-11(7-10-5-3-2-4-6-10)13(18)15(9)8-12(16)17;1-2-6-4-3-5-1/h2*2-7H,8H2,1H3,(H,16,17);5-6H,1-4H2/b2*11-7+;