methyl (E)-3-[5-[4-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[5-[4-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[5-[4-[carbamoyl(hydroxy)amino]but-1-ynyl]-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-enoate CAS Name: (E)-3-[5-[4-[carbamoyl(hydroxy)amino]but-1-ynyl]-2-[2-(4-methyl-1-piperazinyl)ethoxy]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[5-[4-[carbamoyl(hydroxy)amino]but-1-ynyl]-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-enoate Traditional Name: (E)-3-[5-[4-[carbamoyl(hydroxy)amino]but-1-ynyl]-2-[2-(4-methylpiperazino)ethoxy]phenyl]acrylic acid methyl ester Formula: C22H30N4O5 MolecularWeight: 430.4974

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCOC2=C(C=C(C=C2)C#CCCN(C(=O)N)O)C=CC(=O)OC

Isomeric SMILES

CN1CCN(CC1)CCOC2=C(C=C(C=C2)C#CCCN(C(=O)N)O)/C=C/C(=O)OC

InChI

InChI=1S/C22H30N4O5/c1-24-11-13-25(14-12-24)15-16-31-20-8-6-18(5-3-4-10-26(29)22(23)28)17-19(20)7-9-21(27)30-2/h6-9,17,29H,4,10-16H2,1-2H3,(H2,23,28)/b9-7+