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

Systemtic Name: 2-[[2-(dihexylamino)-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(dihexylamino)-3,4-dioxo-cyclobuten-1-yl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-(dihexylamino)-3,4-dioxo-1-cyclobutenyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(dihexylamino)-3,4-dioxocyclobuten-1-yl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(dihexylamino)-3,4-diketo-cyclobuten-1-yl]amino]-3-phenyl-propionic acid Formula: C25H36N2O4 MolecularWeight: 428.56434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C1=C(C(=O)C1=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCN(CCCCCC)C1=C(C(=O)C1=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C25H36N2O4/c1-3-5-7-12-16-27(17-13-8-6-4-2)22-21(23(28)24(22)29)26-20(25(30)31)18-19-14-10-9-11-15-19/h9-11,14-15,20,26H,3-8,12-13,16-18H2,1-2H3,(H,30,31)