2-morpholin-4-yl-5-[(2,3,4-trimethoxyphenyl)methylamino]benzoic acid

Systemtic Name: 2-morpholin-4-yl-5-[(2,3,4-trimethoxyphenyl)methylamino]benzoic acid Openeye Name: 2-morpholino-5-[(2,3,4-trimethoxyphenyl)methylamino]benzoic acid CAS Name: 2-(4-morpholinyl)-5-[(2,3,4-trimethoxyphenyl)methylamino]benzoic acid IUPAC Name: 2-morpholin-4-yl-5-[(2,3,4-trimethoxyphenyl)methylamino]benzoic acid Traditional Name: 2-morpholino-5-[(2,3,4-trimethoxybenzyl)amino]benzoic acid Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)O)OC)OC

InChI

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