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

Systemtic Name: ethanoyl 5-azanyl-2-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidin-3-yl]pent-4-ynoate Openeye Name: acetyl 5-amino-2-[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidyl]pent-4-ynoate CAS Name: 5-amino-2-[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidinyl]-4-pentynoic acid acetyl ester IUPAC Name: acetyl 5-amino-2-[1-(4-carbamimidoylphenyl)-2-oxopiperidin-3-yl]pent-4-ynoate Traditional Name: 2-[1-(4-amidinophenyl)-2-keto-3-piperidyl]-5-amino-pent-4-ynoic acid acetyl ester Formula: C19H22N4O4 MolecularWeight: 370.40238

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

InChI

InChI=1S/C19H22N4O4/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/h6-9,15-16H,3-5,11,20H2,1H3,(H3,21,22)