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

Systemtic Name: methyl 4-[(Z)-[4-(phenylmethyl)piperazin-1-yl]iminomethyl]benzoate Openeye Name: methyl 4-[(Z)-(4-benzylpiperazin-1-yl)iminomethyl]benzoate CAS Name: 4-[(Z)-[4-(phenylmethyl)-1-piperazinyl]iminomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-(4-benzylpiperazin-1-yl)iminomethyl]benzoate Traditional Name: 4-[(Z)-(4-benzylpiperazino)iminomethyl]benzoic acid methyl ester Formula: C20H23N3O2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NN2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=N\N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O2/c1-25-20(24)19-9-7-17(8-10-19)15-21-23-13-11-22(12-14-23)16-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3/b21-15-