[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-azanyl-3-chloranyl-benzoate

Systemtic Name: [1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-azanyl-3-chloranyl-benzoate Openeye Name: [1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-amino-3-chloro-benzoate CAS Name: 2-amino-3-chlorobenzoic acid [1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-amino-3-chlorobenzoate Traditional Name: 2-amino-3-chloro-benzoic acid [2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=C(C(=CC=C3)Cl)N

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=C(C(=CC=C3)Cl)N

InChI

InChI=1S/C20H22ClN3O3/c1-14(27-20(26)16-8-5-9-17(21)18(16)22)19(25)24-12-10-23(11-13-24)15-6-3-2-4-7-15/h2-9,14H,10-13,22H2,1H3