ethanoyl (E)-5-azanyl-2-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidin-3-yl]pent-4-enoate

Systemtic Name: ethanoyl (E)-5-azanyl-2-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidin-3-yl]pent-4-enoate Openeye Name: acetyl (E)-5-amino-2-[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidyl]pent-4-enoate CAS Name: (E)-5-amino-2-[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidinyl]-4-pentenoic acid acetyl ester IUPAC Name: acetyl (E)-5-amino-2-[1-(4-carbamimidoylphenyl)-2-oxopiperidin-3-yl]pent-4-enoate Traditional Name: (E)-2-[1-(4-amidinophenyl)-2-keto-3-piperidyl]-5-amino-pent-4-enoic acid acetyl ester Formula: C19H24N4O4 MolecularWeight: 372.41826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(=O)C(CC=CN)C1CCCN(C1=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(=O)OC(=O)C(C/C=C/N)C1CCCN(C1=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C19H24N4O4/c1-12(24)27-19(26)16(4-2-10-20)15-5-3-11-23(18(15)25)14-8-6-13(7-9-14)17(21)22/h2,6-10,15-16H,3-5,11,20H2,1H3,(H3,21,22)/b10-2+