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

Systemtic Name: azanyl 2-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidin-3-yl]-2-ethanoyl-5-phenyl-pent-4-ynoate Openeye Name: amino 2-acetyl-2-[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidyl]-5-phenyl-pent-4-ynoate CAS Name: 2-acetyl-2-[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidinyl]-5-phenyl-4-pentynoic acid amino ester IUPAC Name: amino 2-acetyl-2-[1-(4-carbamimidoylphenyl)-2-oxopiperidin-3-yl]-5-phenylpent-4-ynoate Traditional Name: 2-acetyl-2-[1-(4-amidinophenyl)-2-keto-3-piperidyl]-5-phenyl-pent-4-ynoic acid amino ester Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC#CC1=CC=CC=C1)(C2CCCN(C2=O)C3=CC=C(C=C3)C(=N)N)C(=O)ON

Isomeric SMILES

CC(=O)C(CC#CC1=CC=CC=C1)(C2CCCN(C2=O)C3=CC=C(C=C3)C(=N)N)C(=O)ON

InChI

InChI=1S/C25H26N4O4/c1-17(30)25(24(32)33-28,15-5-9-18-7-3-2-4-8-18)21-10-6-16-29(23(21)31)20-13-11-19(12-14-20)22(26)27/h2-4,7-8,11-14,21H,6,10,15-16,28H2,1H3,(H3,26,27)