2-[[3,4-bis(oxidanylidene)-2-(4-phenylpiperazin-1-yl)cyclobuten-1-yl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[3,4-bis(oxidanylidene)-2-(4-phenylpiperazin-1-yl)cyclobuten-1-yl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[3,4-dioxo-2-(4-phenylpiperazin-1-yl)cyclobuten-1-yl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[3,4-dioxo-2-(4-phenyl-1-piperazinyl)-1-cyclobutenyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3,4-dioxo-2-(4-phenylpiperazin-1-yl)cyclobuten-1-yl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[3,4-diketo-2-(4-phenylpiperazino)cyclobuten-1-yl]amino]-3-phenyl-propionic acid Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)C3=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)C3=O)NC(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H23N3O4/c27-21-19(24-18(23(29)30)15-16-7-3-1-4-8-16)20(22(21)28)26-13-11-25(12-14-26)17-9-5-2-6-10-17/h1-10,18,24H,11-15H2,(H,29,30)