ethyl 3-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1-(2-ethoxy-2-oxidanylidene-ethyl)piperidin-3-yl]propanoate

Systemtic Name: ethyl 3-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1-(2-ethoxy-2-oxidanylidene-ethyl)piperidin-3-yl]propanoate Openeye Name: ethyl 3-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1-(2-ethoxy-2-oxo-ethyl)-3-piperidyl]propanoate CAS Name: 3-[4-[4-(4-carbamimidoylphenyl)-1-piperazinyl]-1-(2-ethoxy-2-oxoethyl)-3-piperidinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1-(2-ethoxy-2-oxoethyl)piperidin-3-yl]propanoate Traditional Name: 3-[4-[4-(4-amidinophenyl)piperazino]-1-(2-ethoxy-2-keto-ethyl)-3-piperidyl]propionic acid ethyl ester Formula: C25H39N5O4 MolecularWeight: 473.60826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39N5O4/c1-3-33-23(31)10-7-20-17-28(18-24(32)34-4-2)12-11-22(20)30-15-13-29(14-16-30)21-8-5-19(6-9-21)25(26)27/h5-6,8-9,20,22H,3-4,7,10-18H2,1-2H3,(H3,26,27)