methyl 3-(furan-3-ylcarbonylamino)-5-[[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 3-(furan-3-ylcarbonylamino)-5-[[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbonylamino]methyl]benzoate Openeye Name: methyl 3-(furan-3-carbonylamino)-5-[[[4-(4-methylpiperazin-4-ium-1-yl)benzoyl]amino]methyl]benzoate CAS Name: 3-[[3-furanyl(oxo)methyl]amino]-5-[[[[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(furan-3-carbonylamino)-5-[[[4-(4-methylpiperazin-4-ium-1-yl)benzoyl]amino]methyl]benzoate Traditional Name: 3-(3-furoylamino)-5-[[[4-(4-methylpiperazin-4-ium-1-yl)benzoyl]amino]methyl]benzoic acid methyl ester Formula: C26H29N4O5+ MolecularWeight: 477.53226

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)NCC3=CC(=CC(=C3)C(=O)OC)NC(=O)C4=COC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)NCC3=CC(=CC(=C3)C(=O)OC)NC(=O)C4=COC=C4

InChI

InChI=1S/C26H28N4O5/c1-29-8-10-30(11-9-29)23-5-3-19(4-6-23)24(31)27-16-18-13-21(26(33)34-2)15-22(14-18)28-25(32)20-7-12-35-17-20/h3-7,12-15,17H,8-11,16H2,1-2H3,(H,27,31)(H,28,32)/p+1