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

Systemtic Name: ethanoyl 5-azanyl-2-[1-(4-carbamimidoylphenyl)-3-ethyl-2-oxidanylidene-piperidin-3-yl]pent-4-ynoate Openeye Name: acetyl 5-amino-2-[1-(4-carbamimidoylphenyl)-3-ethyl-2-oxo-3-piperidyl]pent-4-ynoate CAS Name: 5-amino-2-[1-(4-carbamimidoylphenyl)-3-ethyl-2-oxo-3-piperidinyl]-4-pentynoic acid acetyl ester IUPAC Name: acetyl 5-amino-2-[1-(4-carbamimidoylphenyl)-3-ethyl-2-oxopiperidin-3-yl]pent-4-ynoate Traditional Name: 2-[1-(4-amidinophenyl)-3-ethyl-2-keto-3-piperidyl]-5-amino-pent-4-ynoic acid acetyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCN(C1=O)C2=CC=C(C=C2)C(=N)N)C(CC#CN)C(=O)OC(=O)C

Isomeric SMILES

CCC1(CCCN(C1=O)C2=CC=C(C=C2)C(=N)N)C(CC#CN)C(=O)OC(=O)C

InChI

InChI=1S/C21H26N4O4/c1-3-21(17(6-4-12-22)19(27)29-14(2)26)11-5-13-25(20(21)28)16-9-7-15(8-10-16)18(23)24/h7-10,17H,3,5-6,11,13,22H2,1-2H3,(H3,23,24)