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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(CCN1CC(=O)OCC)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N)C(C)C(=O)O

Isomeric SMILES

CCC1C(C(CCN1CC(=O)OCC)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N)C(C)C(=O)O

InChI

InChI=1S/C25H39N5O4/c1-4-20-23(17(3)25(32)33)21(10-11-30(20)16-22(31)34-5-2)29-14-12-28(13-15-29)19-8-6-18(7-9-19)24(26)27/h6-9,17,20-21,23H,4-5,10-16H2,1-3H3,(H3,26,27)(H,32,33)