3-[(4-cyanophenyl)methylamino]-2-methyl-benzoic acid

Systemtic Name: 3-[(4-cyanophenyl)methylamino]-2-methyl-benzoic acid Openeye Name: 3-[(4-cyanophenyl)methylamino]-2-methyl-benzoic acid CAS Name: 3-[(4-cyanophenyl)methylamino]-2-methylbenzoic acid IUPAC Name: 3-[(4-cyanophenyl)methylamino]-2-methylbenzoic acid Traditional Name: 3-[(4-cyanobenzyl)amino]-2-methyl-benzoic acid Formula: C16H14N2O2 MolecularWeight: 266.29456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NCC2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NCC2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C16H14N2O2/c1-11-14(16(19)20)3-2-4-15(11)18-10-13-7-5-12(9-17)6-8-13/h2-8,18H,10H2,1H3,(H,19,20)