[2-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-1-yl]carbonylphenyl]methyl benzoate

Systemtic Name: [2-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-1-yl]carbonylphenyl]methyl benzoate Openeye Name: [2-[4-[2-(isopropylamino)-2-oxo-ethyl]piperazine-1-carbonyl]phenyl]methyl benzoate CAS Name: benzoic acid [2-[oxo-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-piperazinyl]methyl]phenyl]methyl ester IUPAC Name: [2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]phenyl]methyl benzoate Traditional Name: benzoic acid [2-[4-[2-(isopropylamino)-2-keto-ethyl]piperazine-1-carbonyl]benzyl] ester Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1CCN(CC1)C(=O)C2=CC=CC=C2COC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)CN1CCN(CC1)C(=O)C2=CC=CC=C2COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H29N3O4/c1-18(2)25-22(28)16-26-12-14-27(15-13-26)23(29)21-11-7-6-10-20(21)17-31-24(30)19-8-4-3-5-9-19/h3-11,18H,12-17H2,1-2H3,(H,25,28)