4-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]phenoxy]butanoic acid

Systemtic Name: 4-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]phenoxy]butanoic acid Openeye Name: 4-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]phenoxy]butanoic acid CAS Name: 4-[4-[4-(4-carbamimidoylphenyl)-1-piperazinyl]phenoxy]butanoic acid IUPAC Name: 4-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]phenoxy]butanoic acid Traditional Name: 4-[4-[4-(4-amidinophenyl)piperazino]phenoxy]butyric acid Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)OCCCC(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)OCCCC(=O)O

InChI

InChI=1S/C21H26N4O3/c22-21(23)16-3-5-17(6-4-16)24-11-13-25(14-12-24)18-7-9-19(10-8-18)28-15-1-2-20(26)27/h3-10H,1-2,11-15H2,(H3,22,23)(H,26,27)