2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[4-(4-carbamimidoylphenyl)-1-piperazinyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[4-(4-amidinophenyl)piperazino]phenoxy]-2-methyl-propionic acid Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H26N4O3/c1-21(2,20(26)27)28-18-9-7-17(8-10-18)25-13-11-24(12-14-25)16-5-3-15(4-6-16)19(22)23/h3-10H,11-14H2,1-2H3,(H3,22,23)(H,26,27)