methyl 4-[[[4-(phenylmethyl)piperazin-1-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[4-(phenylmethyl)piperazin-1-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[(4-benzylpiperazine-1-carbonyl)amino]methyl]benzoate CAS Name: 4-[[[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-benzylpiperazine-1-carbonyl)amino]methyl]benzoate Traditional Name: 4-[[(4-benzylpiperazine-1-carbonyl)amino]methyl]benzoic acid methyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3/c1-27-20(25)19-9-7-17(8-10-19)15-22-21(26)24-13-11-23(12-14-24)16-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,22,26)