ethyl 3-[4-[[3-(4-carbamimidoylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate

Systemtic Name: ethyl 3-[4-[[3-(4-carbamimidoylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate Openeye Name: ethyl 3-[4-[[3-(4-carbamimidoylphenyl)-2-oxo-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate CAS Name: 3-[4-[[3-(4-carbamimidoylphenyl)-2-oxo-5-oxazolidinyl]methyl]-1-piperazinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[[3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate Traditional Name: 3-[4-[[3-(4-amidinophenyl)-2-keto-oxazolidin-5-yl]methyl]piperazino]propionic acid ethyl ester Formula: C20H29N5O4 MolecularWeight: 403.47536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1CCN(CC1)CC2CN(C(=O)O2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CCN1CCN(CC1)CC2CN(C(=O)O2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H29N5O4/c1-2-28-18(26)7-8-23-9-11-24(12-10-23)13-17-14-25(20(27)29-17)16-5-3-15(4-6-16)19(21)22/h3-6,17H,2,7-14H2,1H3,(H3,21,22)