3-[3-[(phenylmethyl)amino]quinoxalin-2-yl]propanoic acid

Systemtic Name: 3-[3-[(phenylmethyl)amino]quinoxalin-2-yl]propanoic acid Openeye Name: 3-[3-(benzylamino)quinoxalin-2-yl]propanoic acid CAS Name: 3-[3-[(phenylmethyl)amino]-2-quinoxalinyl]propanoic acid IUPAC Name: 3-[3-(benzylamino)quinoxalin-2-yl]propanoic acid Traditional Name: 3-[3-(benzylamino)quinoxalin-2-yl]propionic acid Formula: C18H17N3O2 MolecularWeight: 307.34648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N=C2CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N=C2CCC(=O)O

InChI

InChI=1S/C18H17N3O2/c22-17(23)11-10-16-18(19-12-13-6-2-1-3-7-13)21-15-9-5-4-8-14(15)20-16/h1-9H,10-12H2,(H,19,21)(H,22,23)