2-[[3-fluoranyl-4-(phenoxymethyl)phenyl]methoxycarbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[3-fluoranyl-4-(phenoxymethyl)phenyl]methoxycarbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-fluoro-4-(phenoxymethyl)phenyl]methoxycarbonylamino]-3-phenyl-propanoic acid CAS Name: 2-[[[3-fluoro-4-(phenoxymethyl)phenyl]methoxy-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-fluoro-4-(phenoxymethyl)phenyl]methoxycarbonylamino]-3-phenylpropanoic acid Traditional Name: 2-[[3-fluoro-4-(phenoxymethyl)benzyl]oxycarbonylamino]-3-phenyl-propionic acid Formula: C24H22FNO5 MolecularWeight: 423.433583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2=CC(=C(C=C2)COC3=CC=CC=C3)F

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2=CC(=C(C=C2)COC3=CC=CC=C3)F

InChI

InChI=1S/C24H22FNO5/c25-21-13-18(11-12-19(21)16-30-20-9-5-2-6-10-20)15-31-24(29)26-22(23(27)28)14-17-7-3-1-4-8-17/h1-13,22H,14-16H2,(H,26,29)(H,27,28)