2-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]methylamino]benzoic acid

Systemtic Name: 2-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]methylamino]benzoic acid Openeye Name: 2-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]methylamino]benzoic acid CAS Name: 2-[[6-methyl-2-(3,4,5-trimethoxyphenyl)-4-pyrimidinyl]methylamino]benzoic acid IUPAC Name: 2-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]methylamino]benzoic acid Traditional Name: 2-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]methylamino]benzoic acid Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=CC(=C(C(=C2)OC)OC)OC)CNC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC(=NC(=N1)C2=CC(=C(C(=C2)OC)OC)OC)CNC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H23N3O5/c1-13-9-15(12-23-17-8-6-5-7-16(17)22(26)27)25-21(24-13)14-10-18(28-2)20(30-4)19(11-14)29-3/h5-11,23H,12H2,1-4H3,(H,26,27)