2-[(4-cyanophenyl)methyl-(cyclopropylmethyl)amino]ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)methyl-(cyclopropylmethyl)amino]ethanoic acid Openeye Name: 2-[(4-cyanophenyl)methyl-(cyclopropylmethyl)amino]acetic acid CAS Name: 2-[(4-cyanophenyl)methyl-(cyclopropylmethyl)amino]acetic acid IUPAC Name: 2-[(4-cyanophenyl)methyl-(cyclopropylmethyl)amino]acetic acid Traditional Name: 2-[(4-cyanobenzyl)-(cyclopropylmethyl)amino]acetic acid Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN(CC2=CC=C(C=C2)C#N)CC(=O)O

Isomeric SMILES

C1CC1CN(CC2=CC=C(C=C2)C#N)CC(=O)O

InChI

InChI=1S/C14H16N2O2/c15-7-11-1-3-12(4-2-11)8-16(10-14(17)18)9-13-5-6-13/h1-4,13H,5-6,8-10H2,(H,17,18)