ethyl 5-[(4-carbamimidoylphenyl)amino]-5-oxidanylidene-2-piperidin-4-yl-pentanoate

Systemtic Name: ethyl 5-[(4-carbamimidoylphenyl)amino]-5-oxidanylidene-2-piperidin-4-yl-pentanoate Openeye Name: ethyl 5-(4-carbamimidoylanilino)-5-oxo-2-(4-piperidyl)pentanoate CAS Name: 5-(4-carbamimidoylanilino)-5-oxo-2-(4-piperidinyl)pentanoic acid ethyl ester IUPAC Name: ethyl 5-(4-carbamimidoylanilino)-5-oxo-2-piperidin-4-ylpentanoate Traditional Name: 5-(4-amidinoanilino)-5-keto-2-(4-piperidyl)valeric acid ethyl ester Formula: C19H28N4O3 MolecularWeight: 360.45062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC(=O)NC1=CC=C(C=C1)C(=N)N)C2CCNCC2

Isomeric SMILES

CCOC(=O)C(CCC(=O)NC1=CC=C(C=C1)C(=N)N)C2CCNCC2

InChI

InChI=1S/C19H28N4O3/c1-2-26-19(25)16(13-9-11-22-12-10-13)7-8-17(24)23-15-5-3-14(4-6-15)18(20)21/h3-6,13,16,22H,2,7-12H2,1H3,(H3,20,21)(H,23,24)