ethyl 4-azanyl-1-[[3-(4-carbamimidoylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-azanyl-1-[[3-(4-carbamimidoylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-amino-1-[[3-(4-carbamimidoylphenyl)-2-oxo-oxazolidin-5-yl]methyl]piperidine-4-carboxylate CAS Name: 4-amino-1-[[3-(4-carbamimidoylphenyl)-2-oxo-5-oxazolidinyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-1-[[3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[3-(4-amidinophenyl)-2-keto-oxazolidin-5-yl]methyl]-4-amino-isonipecotic acid ethyl ester Formula: C19H27N5O4 MolecularWeight: 389.44878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2CN(C(=O)O2)C3=CC=C(C=C3)C(=N)N)N

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2CN(C(=O)O2)C3=CC=C(C=C3)C(=N)N)N

InChI

InChI=1S/C19H27N5O4/c1-2-27-17(25)19(22)7-9-23(10-8-19)11-15-12-24(18(26)28-15)14-5-3-13(4-6-14)16(20)21/h3-6,15H,2,7-12,22H2,1H3,(H3,20,21)