ethyl 4-[[4-(aminomethyl)piperidin-1-yl]carbamoylamino]benzoate

Systemtic Name: ethyl 4-[[4-(aminomethyl)piperidin-1-yl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[4-(aminomethyl)-1-piperidyl]carbamoylamino]benzoate CAS Name: 4-[[[[4-(aminomethyl)-1-piperidinyl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(aminomethyl)piperidin-1-yl]carbamoylamino]benzoate Traditional Name: 4-[[4-(aminomethyl)piperidino]carbamoylamino]benzoic acid ethyl ester Formula: C16H24N4O3 MolecularWeight: 320.38676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NN2CCC(CC2)CN

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NN2CCC(CC2)CN

InChI

InChI=1S/C16H24N4O3/c1-2-23-15(21)13-3-5-14(6-4-13)18-16(22)19-20-9-7-12(11-17)8-10-20/h3-6,12H,2,7-11,17H2,1H3,(H2,18,19,22)