ethyl 2-[4-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-yl]-2-pyridin-3-yl-ethanoate

Systemtic Name: ethyl 2-[4-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-yl]-2-pyridin-3-yl-ethanoate Openeye Name: ethyl 2-[4-[3-(4-carbamimidoylanilino)-3-oxo-propyl]-1-piperidyl]-2-(3-pyridyl)acetate CAS Name: 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]-1-piperidinyl]-2-(3-pyridinyl)acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]piperidin-1-yl]-2-pyridin-3-ylacetate Traditional Name: 2-[4-[3-(4-amidinoanilino)-3-keto-propyl]piperidino]-2-(3-pyridyl)acetic acid ethyl ester Formula: C24H31N5O3 MolecularWeight: 437.53464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CN=CC=C1)N2CCC(CC2)CCC(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)C(C1=CN=CC=C1)N2CCC(CC2)CCC(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H31N5O3/c1-2-32-24(31)22(19-4-3-13-27-16-19)29-14-11-17(12-15-29)5-10-21(30)28-20-8-6-18(7-9-20)23(25)26/h3-4,6-9,13,16-17,22H,2,5,10-12,14-15H2,1H3,(H3,25,26)(H,28,30)