ethyl N-[2-[3-[3-(4-aminocarbonylpiperazin-1-yl)-2-oxidanyl-propoxy]-2-prop-2-enyl-phenyl]ethyl]carbamate

Systemtic Name: ethyl N-[2-[3-[3-(4-aminocarbonylpiperazin-1-yl)-2-oxidanyl-propoxy]-2-prop-2-enyl-phenyl]ethyl]carbamate Openeye Name: ethyl N-[2-[2-allyl-3-[3-(4-carbamoylpiperazin-1-yl)-2-hydroxy-propoxy]phenyl]ethyl]carbamate CAS Name: N-[2-[3-[3-(4-carbamoyl-1-piperazinyl)-2-hydroxypropoxy]-2-prop-2-enylphenyl]ethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-[3-[3-(4-carbamoylpiperazin-1-yl)-2-hydroxypropoxy]-2-prop-2-enylphenyl]ethyl]carbamate Traditional Name: N-[2-[2-allyl-3-[3-(4-carbamoylpiperazino)-2-hydroxy-propoxy]phenyl]ethyl]carbamic acid ethyl ester Formula: C22H34N4O5 MolecularWeight: 434.52916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NCCC1=C(C(=CC=C1)OCC(CN2CCN(CC2)C(=O)N)O)CC=C

Isomeric SMILES

CCOC(=O)NCCC1=C(C(=CC=C1)OCC(CN2CCN(CC2)C(=O)N)O)CC=C

InChI

InChI=1S/C22H34N4O5/c1-3-6-19-17(9-10-24-22(29)30-4-2)7-5-8-20(19)31-16-18(27)15-25-11-13-26(14-12-25)21(23)28/h3,5,7-8,18,27H,1,4,6,9-16H2,2H3,(H2,23,28)(H,24,29)