methyl 3-oxidanyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzoate

Systemtic Name: methyl 3-oxidanyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzoate Openeye Name: methyl 3-hydroxy-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzoate CAS Name: 3-hydroxy-2-[2-(4-phenyl-1-piperazinyl)ethylamino]benzoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzoate Traditional Name: 3-hydroxy-2-[2-(4-phenylpiperazino)ethylamino]benzoic acid methyl ester Formula: C20H25N3O3 MolecularWeight: 355.4308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)O)NCCN2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)O)NCCN2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3/c1-26-20(25)17-8-5-9-18(24)19(17)21-10-11-22-12-14-23(15-13-22)16-6-3-2-4-7-16/h2-9,21,24H,10-15H2,1H3