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

Systemtic Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=O)/C=C/C3=CC=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C28H31N3O4/c1-3-30-16-18-31(19-17-30)25-13-10-22(28(33)34-4-2)20-24(25)29-27(32)15-12-23-11-14-26(35-23)21-8-6-5-7-9-21/h5-15,20H,3-4,16-19H2,1-2H3,(H,29,32)/b15-12+