2-morpholin-4-yl-5-[(2,4,5-trimethoxyphenyl)methylamino]benzoic acid

Systemtic Name: 2-morpholin-4-yl-5-[(2,4,5-trimethoxyphenyl)methylamino]benzoic acid Openeye Name: 2-morpholino-5-[(2,4,5-trimethoxyphenyl)methylamino]benzoic acid CAS Name: 2-(4-morpholinyl)-5-[(2,4,5-trimethoxyphenyl)methylamino]benzoic acid IUPAC Name: 2-morpholin-4-yl-5-[(2,4,5-trimethoxyphenyl)methylamino]benzoic acid Traditional Name: 2-morpholino-5-[(2,4,5-trimethoxybenzyl)amino]benzoic acid Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)O)OC)OC

InChI

InChI=1S/C21H26N2O6/c1-26-18-12-20(28-3)19(27-2)10-14(18)13-22-15-4-5-17(16(11-15)21(24)25)23-6-8-29-9-7-23/h4-5,10-12,22H,6-9,13H2,1-3H3,(H,24,25)