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

Systemtic Name: methyl 2-[[3,4-bis(oxidanylidene)-2-(4-phenylpiperazin-1-yl)cyclobuten-1-yl]amino]-3-phenyl-propanoate Openeye Name: methyl 2-[[3,4-dioxo-2-(4-phenylpiperazin-1-yl)cyclobuten-1-yl]amino]-3-phenyl-propanoate CAS Name: 2-[[3,4-dioxo-2-(4-phenyl-1-piperazinyl)-1-cyclobutenyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[3,4-dioxo-2-(4-phenylpiperazin-1-yl)cyclobuten-1-yl]amino]-3-phenylpropanoate Traditional Name: 2-[[3,4-diketo-2-(4-phenylpiperazino)cyclobuten-1-yl]amino]-3-phenyl-propionic acid methyl ester Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC2=C(C(=O)C2=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC2=C(C(=O)C2=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O4/c1-31-24(30)19(16-17-8-4-2-5-9-17)25-20-21(23(29)22(20)28)27-14-12-26(13-15-27)18-10-6-3-7-11-18/h2-11,19,25H,12-16H2,1H3