3-[(2-azanyl-4-methyl-phenoxy)methyl]-5-(3-cyanophenyl)benzoic acid

Systemtic Name: 3-[(2-azanyl-4-methyl-phenoxy)methyl]-5-(3-cyanophenyl)benzoic acid Openeye Name: 3-[(2-amino-4-methyl-phenoxy)methyl]-5-(3-cyanophenyl)benzoic acid CAS Name: 3-[(2-amino-4-methylphenoxy)methyl]-5-(3-cyanophenyl)benzoic acid IUPAC Name: 3-[(2-amino-4-methylphenoxy)methyl]-5-(3-cyanophenyl)benzoic acid Traditional Name: 3-[(2-amino-4-methyl-phenoxy)methyl]-5-(3-cyanophenyl)benzoic acid Formula: C22H18N2O3 MolecularWeight: 358.38992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=CC(=CC(=C2)C(=O)O)C3=CC=CC(=C3)C#N)N

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=CC(=CC(=C2)C(=O)O)C3=CC=CC(=C3)C#N)N

InChI

InChI=1S/C22H18N2O3/c1-14-5-6-21(20(24)7-14)27-13-16-9-18(11-19(10-16)22(25)26)17-4-2-3-15(8-17)12-23/h2-11H,13,24H2,1H3,(H,25,26)