(4-carbamimidoylphenyl) 3-[ethanoyl(piperidin-3-yl)amino]-3-ethyl-2-oxidanylidene-pent-4-enoate

Systemtic Name: (4-carbamimidoylphenyl) 3-[ethanoyl(piperidin-3-yl)amino]-3-ethyl-2-oxidanylidene-pent-4-enoate Openeye Name: (4-carbamimidoylphenyl) 3-[acetyl(3-piperidyl)amino]-3-ethyl-2-oxo-pent-4-enoate CAS Name: 3-[acetyl(3-piperidinyl)amino]-3-ethyl-2-oxo-4-pentenoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 3-[acetyl(piperidin-3-yl)amino]-3-ethyl-2-oxopent-4-enoate Traditional Name: 3-[acetyl(3-piperidyl)amino]-3-ethyl-2-keto-pent-4-enoic acid (4-amidinophenyl) ester Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=C)(C(=O)C(=O)OC1=CC=C(C=C1)C(=N)N)N(C2CCCNC2)C(=O)C

Isomeric SMILES

CCC(C=C)(C(=O)C(=O)OC1=CC=C(C=C1)C(=N)N)N(C2CCCNC2)C(=O)C

InChI

InChI=1S/C21H28N4O4/c1-4-21(5-2,25(14(3)26)16-7-6-12-24-13-16)18(27)20(28)29-17-10-8-15(9-11-17)19(22)23/h4,8-11,16,24H,1,5-7,12-13H2,2-3H3,(H3,22,23)