2-ethoxy-3-[4-[(4-methylpiperazin-1-yl)carbamoyloxy]phenyl]-3-oxidanylidene-2-[(4-oxidanylidenecyclobuten-1-yl)amino]propanoic acid

Systemtic Name: 2-ethoxy-3-[4-[(4-methylpiperazin-1-yl)carbamoyloxy]phenyl]-3-oxidanylidene-2-[(4-oxidanylidenecyclobuten-1-yl)amino]propanoic acid Openeye Name: 2-ethoxy-3-[4-[(4-methylpiperazin-1-yl)carbamoyloxy]phenyl]-3-oxo-2-[(4-oxocyclobuten-1-yl)amino]propanoic acid CAS Name: 2-ethoxy-3-[4-[[(4-methyl-1-piperazinyl)amino]-oxomethoxy]phenyl]-3-oxo-2-[(4-oxo-1-cyclobutenyl)amino]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[(4-methylpiperazin-1-yl)carbamoyloxy]phenyl]-3-oxo-2-[(4-oxocyclobuten-1-yl)amino]propanoic acid Traditional Name: 2-ethoxy-3-keto-2-[(4-ketocyclobuten-1-yl)amino]-3-[4-[(4-methylpiperazino)carbamoyloxy]phenyl]propionic acid Formula: C21H26N4O7 MolecularWeight: 446.45374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(=O)C1=CC=C(C=C1)OC(=O)NN2CCN(CC2)C)(C(=O)O)NC3=CCC3=O

Isomeric SMILES

CCOC(C(=O)C1=CC=C(C=C1)OC(=O)NN2CCN(CC2)C)(C(=O)O)NC3=CCC3=O

InChI

InChI=1S/C21H26N4O7/c1-3-31-21(19(28)29,22-16-8-9-17(16)26)18(27)14-4-6-15(7-5-14)32-20(30)23-25-12-10-24(2)11-13-25/h4-8,22H,3,9-13H2,1-2H3,(H,23,30)(H,28,29)