[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-(4-chloranyl-3-methyl-phenoxy)ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-(4-chloranyl-3-methyl-phenoxy)ethanoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(4-chloro-3-methyl-phenoxy)acetate CAS Name: 2-(4-chloro-3-methylphenoxy)acetic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(4-chloro-3-methylphenoxy)acetate Traditional Name: 2-(4-chloro-3-methyl-phenoxy)acetic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H23ClN2O4/c1-16-13-18(7-8-19(16)22)27-15-21(26)28-14-20(25)24-11-9-23(10-12-24)17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3