4-methoxy-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzoic acid

Systemtic Name: 4-methoxy-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzoic acid Openeye Name: 4-methoxy-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzoic acid CAS Name: 4-methoxy-2-[2-(4-phenyl-1-piperazinyl)ethylamino]benzoic acid IUPAC Name: 4-methoxy-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzoic acid Traditional Name: 4-methoxy-2-[2-(4-phenylpiperazino)ethylamino]benzoic acid Formula: C20H25N3O3 MolecularWeight: 355.4308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)O)NCCN2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)O)NCCN2CCN(CC2)C3=CC=CC=C3

InChI

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