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

Systemtic Name: 4-[(4E)-2-methyl-5-oxidanylidene-4-(phenylmethylidene)imidazol-1-yl]butanoic acid; piperazine Openeye Name: 4-[(4E)-4-benzylidene-2-methyl-5-oxo-imidazol-1-yl]butanoic acid; piperazine CAS Name: 4-[(4E)-2-methyl-5-oxo-4-(phenylmethylene)-1-imidazolyl]butanoic acid; piperazine IUPAC Name: 4-[(4E)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]butanoic acid; piperazine Traditional Name: 4-[(4E)-4-benzal-5-keto-2-methyl-2-imidazolin-1-yl]butyric acid; piperazine Formula: C34H42N6O6 MolecularWeight: 630.73388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC2=CC=CC=C2)C(=O)N1CCCC(=O)O.CC1=NC(=CC2=CC=CC=C2)C(=O)N1CCCC(=O)O.C1CNCCN1

Isomeric SMILES

CC1=N/C(=C/C2=CC=CC=C2)/C(=O)N1CCCC(=O)O.CC1=N/C(=C/C2=CC=CC=C2)/C(=O)N1CCCC(=O)O.C1NCCNC1

InChI

InChI=1S/2C15H16N2O3.C4H10N2/c2*1-11-16-13(10-12-6-3-2-4-7-12)15(20)17(11)9-5-8-14(18)19;1-2-6-4-3-5-1/h2*2-4,6-7,10H,5,8-9H2,1H3,(H,18,19);5-6H,1-4H2/b2*13-10+;