3-(furan-2-ylmethylamino)-4-oxidanylidene-4-[(phenylmethyl)amino]butanoic acid

Systemtic Name: 3-(furan-2-ylmethylamino)-4-oxidanylidene-4-[(phenylmethyl)amino]butanoic acid Openeye Name: 4-(benzylamino)-3-(2-furylmethylamino)-4-oxo-butanoic acid CAS Name: 3-(2-furanylmethylamino)-4-oxo-4-[(phenylmethyl)amino]butanoic acid IUPAC Name: 4-(benzylamino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid Traditional Name: 4-(benzylamino)-3-(2-furfurylamino)-4-keto-butyric acid Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(CC(=O)O)NCC2=CC=CO2

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C(CC(=O)O)NCC2=CC=CO2

InChI

InChI=1S/C16H18N2O4/c19-15(20)9-14(17-11-13-7-4-8-22-13)16(21)18-10-12-5-2-1-3-6-12/h1-8,14,17H,9-11H2,(H,18,21)(H,19,20)