methyl 2-ethoxy-5-[1-oxidanyl-2-(4-phenylpiperazin-1-yl)ethyl]benzoate

Systemtic Name: methyl 2-ethoxy-5-[1-oxidanyl-2-(4-phenylpiperazin-1-yl)ethyl]benzoate Openeye Name: methyl 2-ethoxy-5-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]benzoate CAS Name: 2-ethoxy-5-[1-hydroxy-2-(4-phenyl-1-piperazinyl)ethyl]benzoic acid methyl ester IUPAC Name: methyl 2-ethoxy-5-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]benzoate Traditional Name: 2-ethoxy-5-[1-hydroxy-2-(4-phenylpiperazino)ethyl]benzoic acid methyl ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CN2CCN(CC2)C3=CC=CC=C3)O)C(=O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CN2CCN(CC2)C3=CC=CC=C3)O)C(=O)OC

InChI

InChI=1S/C22H28N2O4/c1-3-28-21-10-9-17(15-19(21)22(26)27-2)20(25)16-23-11-13-24(14-12-23)18-7-5-4-6-8-18/h4-10,15,20,25H,3,11-14,16H2,1-2H3