3-[(4-cyanophenyl)methyl-(furan-2-ylmethyl)amino]propanoic acid

Systemtic Name: 3-[(4-cyanophenyl)methyl-(furan-2-ylmethyl)amino]propanoic acid Openeye Name: 3-[(4-cyanophenyl)methyl-(2-furylmethyl)amino]propanoic acid CAS Name: 3-[(4-cyanophenyl)methyl-(2-furanylmethyl)amino]propanoic acid IUPAC Name: 3-[(4-cyanophenyl)methyl-(furan-2-ylmethyl)amino]propanoic acid Traditional Name: 3-[(4-cyanobenzyl)-(2-furfuryl)amino]propionic acid Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN(CCC(=O)O)CC2=CC=C(C=C2)C#N

Isomeric SMILES

C1=COC(=C1)CN(CCC(=O)O)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H16N2O3/c17-10-13-3-5-14(6-4-13)11-18(8-7-16(19)20)12-15-2-1-9-21-15/h1-6,9H,7-8,11-12H2,(H,19,20)