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

Systemtic Name: methyl 3-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate CAS Name: 3-[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-4-(4-ethyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate Traditional Name: 3-[[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]amino]-4-(4-ethylpiperazino)benzoic acid methyl ester Formula: C24H28BrN3O4 MolecularWeight: 502.40082

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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=C(C=CC(=C3)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H28BrN3O4/c1-4-27-11-13-28(14-12-27)21-8-5-18(24(30)32-3)16-20(21)26-23(29)10-6-17-15-19(25)7-9-22(17)31-2/h5-10,15-16H,4,11-14H2,1-3H3,(H,26,29)/b10-6+