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

Systemtic Name: methyl 3-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]-4-(4-methylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]amino]-4-(4-methylpiperazin-1-yl)benzoate CAS Name: 3-[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-4-(4-methyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]-4-(4-methylpiperazin-1-yl)benzoate Traditional Name: 3-[[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]amino]-4-(4-methylpiperazino)benzoic acid methyl ester Formula: C23H26BrN3O4 MolecularWeight: 488.37424

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26BrN3O4/c1-26-10-12-27(13-11-26)20-7-4-17(23(29)31-3)15-19(20)25-22(28)9-5-16-14-18(24)6-8-21(16)30-2/h4-9,14-15H,10-13H2,1-3H3,(H,25,28)/b9-5+