methyl 4-[[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylcarbamoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylcarbamoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylcarbamoylamino]methyl]benzoate CAS Name: 4-[[[[[2-[(4-ethyl-1-piperazinyl)methyl]phenyl]methylamino]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylcarbamoylamino]methyl]benzoate Traditional Name: 4-[[[2-[(4-ethylpiperazino)methyl]benzyl]carbamoylamino]methyl]benzoic acid methyl ester Formula: C24H32N4O3 MolecularWeight: 424.53588

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=CC=CC=C2CNC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN1CCN(CC1)CC2=CC=CC=C2CNC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H32N4O3/c1-3-27-12-14-28(15-13-27)18-22-7-5-4-6-21(22)17-26-24(30)25-16-19-8-10-20(11-9-19)23(29)31-2/h4-11H,3,12-18H2,1-2H3,(H2,25,26,30)