methyl 4-[4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-[2-(benzylamino)-2-oxo-ethyl]piperazine-1-carbonyl]benzoate CAS Name: 4-[oxo-[4-[2-oxo-2-[(phenylmethyl)amino]ethyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[2-(benzylamino)-2-oxoethyl]piperazine-1-carbonyl]benzoate Traditional Name: 4-[4-[2-(benzylamino)-2-keto-ethyl]piperazine-1-carbonyl]benzoic acid methyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4/c1-29-22(28)19-9-7-18(8-10-19)21(27)25-13-11-24(12-14-25)16-20(26)23-15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,23,26)