methyl 4-[[4-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]piperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]piperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[2-(allylamino)-2-oxo-ethyl]piperazin-1-yl]methyl]benzoate CAS Name: 4-[[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[2-(allylamino)-2-keto-ethyl]piperazino]methyl]benzoic acid methyl ester Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)CC(=O)NCC=C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)CC(=O)NCC=C

InChI

InChI=1S/C18H25N3O3/c1-3-8-19-17(22)14-21-11-9-20(10-12-21)13-15-4-6-16(7-5-15)18(23)24-2/h3-7H,1,8-14H2,2H3,(H,19,22)