methyl 3-[3-[2-(piperazin-1-ylmethyl)prop-2-enylcarbamoylamino]propyl]benzoate

Systemtic Name: methyl 3-[3-[2-(piperazin-1-ylmethyl)prop-2-enylcarbamoylamino]propyl]benzoate Openeye Name: methyl 3-[3-[2-(piperazin-1-ylmethyl)allylcarbamoylamino]propyl]benzoate CAS Name: 3-[3-[[oxo-[2-(1-piperazinylmethyl)prop-2-enylamino]methyl]amino]propyl]benzoic acid methyl ester IUPAC Name: methyl 3-[3-[2-(piperazin-1-ylmethyl)prop-2-enylcarbamoylamino]propyl]benzoate Traditional Name: 3-[3-[2-(piperazinomethyl)allylcarbamoylamino]propyl]benzoic acid methyl ester Formula: C20H30N4O3 MolecularWeight: 374.4772

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CCCNC(=O)NCC(=C)CN2CCNCC2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CCCNC(=O)NCC(=C)CN2CCNCC2

InChI

InChI=1S/C20H30N4O3/c1-16(15-24-11-9-21-10-12-24)14-23-20(26)22-8-4-6-17-5-3-7-18(13-17)19(25)27-2/h3,5,7,13,21H,1,4,6,8-12,14-15H2,2H3,(H2,22,23,26)