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

Systemtic Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[[(E)-3-(5-phenyl-2-furyl)prop-2-enoyl]amino]benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[[(E)-1-oxo-3-(5-phenyl-2-furanyl)prop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]amino]benzoate Traditional Name: 4-(4-ethylpiperazino)-3-[[(E)-3-(5-phenyl-2-furyl)acryloyl]amino]benzoic acid methyl ester Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C=CC3=CC=C(O3)C4=CC=CC=C4

Isomeric SMILES

CCN1CCN(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/C27H29N3O4/c1-3-29-15-17-30(18-16-29)24-12-9-21(27(32)33-2)19-23(24)28-26(31)14-11-22-10-13-25(34-22)20-7-5-4-6-8-20/h4-14,19H,3,15-18H2,1-2H3,(H,28,31)/b14-11+