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

Systemtic Name: methyl 4-[[4-(2-oxidanylidene-2-phenylazanyl-ethyl)piperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(2-anilino-2-oxo-ethyl)piperazin-1-yl]methyl]benzoate CAS Name: 4-[[4-(2-anilino-2-oxoethyl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]benzoate Traditional Name: 4-[[4-(2-anilino-2-keto-ethyl)piperazino]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)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3

InChI

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