2-[(4-isocyanophenyl)methyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[(4-isocyanophenyl)methyl-methyl-amino]ethanoic acid Openeye Name: 2-[(4-isocyanophenyl)methyl-methyl-amino]acetic acid CAS Name: 2-[(4-isocyanophenyl)methyl-methylamino]acetic acid IUPAC Name: 2-[(4-isocyanophenyl)methyl-methylamino]acetic acid Traditional Name: 2-[(4-isocyanobenzyl)-methyl-amino]acetic acid Formula: C11H12N2O2 MolecularWeight: 204.22518

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)[N+]#[C-])CC(=O)O

Isomeric SMILES

CN(CC1=CC=C(C=C1)[N+]#[C-])CC(=O)O

InChI

InChI=1S/C11H12N2O2/c1-12-10-5-3-9(4-6-10)7-13(2)8-11(14)15/h3-6H,7-8H2,2H3,(H,14,15)