4-[[(2,5-dimethoxyphenyl)-(6-methyl-2-oxidanyl-3-propan-2-yl-phenyl)methyl]amino]benzoic acid

Systemtic Name: 4-[[(2,5-dimethoxyphenyl)-(6-methyl-2-oxidanyl-3-propan-2-yl-phenyl)methyl]amino]benzoic acid Openeye Name: 4-[[(2,5-dimethoxyphenyl)-(2-hydroxy-3-isopropyl-6-methyl-phenyl)methyl]amino]benzoic acid CAS Name: 4-[[(2,5-dimethoxyphenyl)-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]amino]benzoic acid IUPAC Name: 4-[[(2,5-dimethoxyphenyl)-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]amino]benzoic acid Traditional Name: 4-[[(2,5-dimethoxyphenyl)-(2-hydroxy-3-isopropyl-6-methyl-phenyl)methyl]amino]benzoic acid Formula: C26H29NO5 MolecularWeight: 435.51216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(C)C)O)C(C2=C(C=CC(=C2)OC)OC)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C=C1)C(C)C)O)C(C2=C(C=CC(=C2)OC)OC)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C26H29NO5/c1-15(2)20-12-6-16(3)23(25(20)28)24(21-14-19(31-4)11-13-22(21)32-5)27-18-9-7-17(8-10-18)26(29)30/h6-15,24,27-28H,1-5H3,(H,29,30)