2-[[4-(furan-2-yl)-4-oxidanylidene-2-(phenylmethyl)butanoyl]amino]-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: 2-[[4-(furan-2-yl)-4-oxidanylidene-2-(phenylmethyl)butanoyl]amino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: 2-[[2-benzyl-4-(2-furyl)-4-oxo-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: 2-[[4-(2-furanyl)-1,4-dioxo-2-(phenylmethyl)butyl]amino]-3-(1H-imidazol-5-yl)propanoate IUPAC Name: 2-[[2-benzyl-4-(furan-2-yl)-4-oxobutanoyl]amino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: 2-[[2-benzyl-4-(2-furyl)-4-keto-butanoyl]amino]-3-(1H-imidazol-5-yl)propionate Formula: C21H20N3O5- MolecularWeight: 394.4006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(=O)C2=CC=CO2)C(=O)NC(CC3=CN=CN3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(CC(=O)C2=CC=CO2)C(=O)NC(CC3=CN=CN3)C(=O)[O-]

InChI

InChI=1S/C21H21N3O5/c25-18(19-7-4-8-29-19)10-15(9-14-5-2-1-3-6-14)20(26)24-17(21(27)28)11-16-12-22-13-23-16/h1-8,12-13,15,17H,9-11H2,(H,22,23)(H,24,26)(H,27,28)/p-1