[2-oxidanylidene-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-oxo-2-[4-(1-phenylethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-keto-2-[4-(1-phenylethyl)piperazino]ethyl] ester Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCN(CC2)C(=O)COC(=O)C3=CC(=C(C=C3)Cl)N

Isomeric SMILES

CC(C1=CC=CC=C1)N2CCN(CC2)C(=O)COC(=O)C3=CC(=C(C=C3)Cl)N

InChI

InChI=1S/C21H24ClN3O3/c1-15(16-5-3-2-4-6-16)24-9-11-25(12-10-24)20(26)14-28-21(27)17-7-8-18(22)19(23)13-17/h2-8,13,15H,9-12,14,23H2,1H3