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

Systemtic Name: diethyl 2-[4-[[3-(4-carbamimidoylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanedioate Openeye Name: diethyl 2-[4-[[3-(4-carbamimidoylphenyl)-2-oxo-oxazolidin-5-yl]methyl]piperazin-1-yl]butanedioate CAS Name: 2-[4-[[3-(4-carbamimidoylphenyl)-2-oxo-5-oxazolidinyl]methyl]-1-piperazinyl]butanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-[[3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanedioate Traditional Name: 2-[4-[[3-(4-amidinophenyl)-2-keto-oxazolidin-5-yl]methyl]piperazino]succinic acid diethyl ester Formula: C23H33N5O6 MolecularWeight: 475.53802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(=O)OCC)N1CCN(CC1)CC2CN(C(=O)O2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CC(C(=O)OCC)N1CCN(CC1)CC2CN(C(=O)O2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H33N5O6/c1-3-32-20(29)13-19(22(30)33-4-2)27-11-9-26(10-12-27)14-18-15-28(23(31)34-18)17-7-5-16(6-8-17)21(24)25/h5-8,18-19H,3-4,9-15H2,1-2H3,(H3,24,25)