ethyl 3-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1-(3-ethoxy-3-oxidanylidene-propyl)piperidin-3-yl]propanoate

Systemtic Name: ethyl 3-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1-(3-ethoxy-3-oxidanylidene-propyl)piperidin-3-yl]propanoate Openeye Name: ethyl 3-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1-(3-ethoxy-3-oxo-propyl)-3-piperidyl]propanoate CAS Name: 3-[4-[4-(4-carbamimidoylphenyl)-1-piperazinyl]-1-(3-ethoxy-3-oxopropyl)-3-piperidinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1-(3-ethoxy-3-oxopropyl)piperidin-3-yl]propanoate Traditional Name: 3-[4-[4-(4-amidinophenyl)piperazino]-1-(3-ethoxy-3-keto-propyl)-3-piperidyl]propionic acid ethyl ester Formula: C26H41N5O4 MolecularWeight: 487.63484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1CN(CCC1N2CCN(CC2)C3=CC=C(C=C3)C(=N)N)CCC(=O)OCC

Isomeric SMILES

CCOC(=O)CCC1CN(CCC1N2CCN(CC2)C3=CC=C(C=C3)C(=N)N)CCC(=O)OCC

InChI

InChI=1S/C26H41N5O4/c1-3-34-24(32)10-7-21-19-29(14-12-25(33)35-4-2)13-11-23(21)31-17-15-30(16-18-31)22-8-5-20(6-9-22)26(27)28/h5-6,8-9,21,23H,3-4,7,10-19H2,1-2H3,(H3,27,28)