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

Systemtic Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[[(E)-3-(2-furyl)prop-2-enoyl]amino]benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate Traditional Name: 4-(4-ethylpiperazino)-3-[[(E)-3-(2-furyl)acryloyl]amino]benzoic acid methyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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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=CO3

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)/C=C/C3=CC=CO3

InChI

InChI=1S/C21H25N3O4/c1-3-23-10-12-24(13-11-23)19-8-6-16(21(26)27-2)15-18(19)22-20(25)9-7-17-5-4-14-28-17/h4-9,14-15H,3,10-13H2,1-2H3,(H,22,25)/b9-7+