3-[4-[4-(4-carbamimidoylphenoxy)butyl]-2,3-bis(oxidanylidene)piperazin-1-yl]-3-(3-chlorophenyl)propanoic acid

Systemtic Name: 3-[4-[4-(4-carbamimidoylphenoxy)butyl]-2,3-bis(oxidanylidene)piperazin-1-yl]-3-(3-chlorophenyl)propanoic acid Openeye Name: 3-[4-[4-(4-carbamimidoylphenoxy)butyl]-2,3-dioxo-piperazin-1-yl]-3-(3-chlorophenyl)propanoic acid CAS Name: 3-[4-[4-(4-carbamimidoylphenoxy)butyl]-2,3-dioxo-1-piperazinyl]-3-(3-chlorophenyl)propanoic acid IUPAC Name: 3-[4-[4-(4-carbamimidoylphenoxy)butyl]-2,3-dioxopiperazin-1-yl]-3-(3-chlorophenyl)propanoic acid Traditional Name: 3-[4-[4-(4-amidinophenoxy)butyl]-2,3-diketo-piperazino]-3-(3-chlorophenyl)propionic acid Formula: C24H27ClN4O5 MolecularWeight: 486.94798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(=O)N1CCCCOC2=CC=C(C=C2)C(=N)N)C(CC(=O)O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(C(=O)C(=O)N1CCCCOC2=CC=C(C=C2)C(=N)N)C(CC(=O)O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C24H27ClN4O5/c25-18-5-3-4-17(14-18)20(15-21(30)31)29-12-11-28(23(32)24(29)33)10-1-2-13-34-19-8-6-16(7-9-19)22(26)27/h3-9,14,20H,1-2,10-13,15H2,(H3,26,27)(H,30,31)