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

Systemtic Name: ethyl 2-[4-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-yl]-2-phenyl-ethanoate Openeye Name: ethyl 2-[4-[3-(4-carbamimidoylanilino)-3-oxo-propyl]-1-piperidyl]-2-phenyl-acetate CAS Name: 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]-1-piperidinyl]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]piperidin-1-yl]-2-phenylacetate Traditional Name: 2-[4-[3-(4-amidinoanilino)-3-keto-propyl]piperidino]-2-phenyl-acetic acid ethyl ester Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O3/c1-2-32-25(31)23(19-6-4-3-5-7-19)29-16-14-18(15-17-29)8-13-22(30)28-21-11-9-20(10-12-21)24(26)27/h3-7,9-12,18,23H,2,8,13-17H2,1H3,(H3,26,27)(H,28,30)