4-[[C-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenethyl-carbonimidoyl]amino]benzoic acid

Systemtic Name: 4-[[C-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenethyl-carbonimidoyl]amino]benzoic acid Openeye Name: 4-[[C-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenethyl-carbonimidoyl]amino]benzoic acid CAS Name: 4-[[[4-(4-methoxyphenyl)-1-piperazinyl]-phenethyliminomethyl]amino]benzoic acid IUPAC Name: 4-[[C-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenethylcarbonimidoyl]amino]benzoic acid Traditional Name: 4-[[C-[4-(4-methoxyphenyl)piperazino]-N-phenethyl-carbonimidoyl]amino]benzoic acid Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=NCCC3=CC=CC=C3)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=NCCC3=CC=CC=C3)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C27H30N4O3/c1-34-25-13-11-24(12-14-25)30-17-19-31(20-18-30)27(28-16-15-21-5-3-2-4-6-21)29-23-9-7-22(8-10-23)26(32)33/h2-14H,15-20H2,1H3,(H,28,29)(H,32,33)