3-(4-carbamimidoylphenyl)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid

Systemtic Name: 3-(4-carbamimidoylphenyl)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid Openeye Name: 3-(4-carbamimidoylphenyl)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid CAS Name: 3-(4-carbamimidoylphenyl)-2-(4-ethoxycarbonyl-1-piperazinyl)propanoic acid IUPAC Name: 3-(4-carbamimidoylphenyl)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid Traditional Name: 3-(4-amidinophenyl)-2-(4-carbethoxypiperazino)propionic acid Formula: C17H24N4O4 MolecularWeight: 348.39686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(CC2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(CC2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C17H24N4O4/c1-2-25-17(24)21-9-7-20(8-10-21)14(16(22)23)11-12-3-5-13(6-4-12)15(18)19/h3-6,14H,2,7-11H2,1H3,(H3,18,19)(H,22,23)