methyl 4-(4-methylpiperazin-1-yl)-3-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 4-(4-methylpiperazin-1-yl)-3-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 4-(4-methylpiperazin-1-yl)-3-[[(E)-3-(5-phenyl-2-furyl)prop-2-enoyl]amino]benzoate CAS Name: 4-(4-methyl-1-piperazinyl)-3-[[(E)-1-oxo-3-(5-phenyl-2-furanyl)prop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-1-yl)-3-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]amino]benzoate Traditional Name: 4-(4-methylpiperazino)-3-[[(E)-3-(5-phenyl-2-furyl)acryloyl]amino]benzoic acid methyl ester Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C=CC3=CC=C(O3)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)/C=C/C3=CC=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O4/c1-28-14-16-29(17-15-28)23-11-8-20(26(31)32-2)18-22(23)27-25(30)13-10-21-9-12-24(33-21)19-6-4-3-5-7-19/h3-13,18H,14-17H2,1-2H3,(H,27,30)/b13-10+