ethyl 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-bis(oxidanylidene)piperazin-1-yl]-3-pyridin-3-yl-propanoate

Systemtic Name: ethyl 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-bis(oxidanylidene)piperazin-1-yl]-3-pyridin-3-yl-propanoate Openeye Name: ethyl 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxo-piperazin-1-yl]-3-(3-pyridyl)propanoate CAS Name: 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxo-1-piperazinyl]-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxopiperazin-1-yl]-3-pyridin-3-ylpropanoate Traditional Name: 3-[4-[3-(4-amidinophenoxy)propyl]-2,3-diketo-piperazino]-3-(3-pyridyl)propionic acid ethyl ester Formula: C24H29N5O5 MolecularWeight: 467.51756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CN=CC=C1)N2CCN(C(=O)C2=O)CCCOC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CC(C1=CN=CC=C1)N2CCN(C(=O)C2=O)CCCOC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H29N5O5/c1-2-33-21(30)15-20(18-5-3-10-27-16-18)29-13-12-28(23(31)24(29)32)11-4-14-34-19-8-6-17(7-9-19)22(25)26/h3,5-10,16,20H,2,4,11-15H2,1H3,(H3,25,26)