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

Systemtic Name: 4-[[(4-dimethylaminophenyl)-(6-methyl-2-oxidanyl-3-propan-2-yl-phenyl)methyl]amino]benzoic acid Openeye Name: 4-[[(4-dimethylaminophenyl)-(2-hydroxy-3-isopropyl-6-methyl-phenyl)methyl]amino]benzoic acid CAS Name: 4-[[(4-dimethylaminophenyl)-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]amino]benzoic acid IUPAC Name: 4-[[(4-dimethylaminophenyl)-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]amino]benzoic acid Traditional Name: 4-[[(4-dimethylaminophenyl)-(2-hydroxy-3-isopropyl-6-methyl-phenyl)methyl]amino]benzoic acid Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O3/c1-16(2)22-15-6-17(3)23(25(22)29)24(18-9-13-21(14-10-18)28(4)5)27-20-11-7-19(8-12-20)26(30)31/h6-16,24,27,29H,1-5H3,(H,30,31)