methyl 3-(2-azanylethanoylamino)-3-[4-(4-fluoranyl-2-oxidanyl-phenyl)phenyl]propanoate hydrochloride

Systemtic Name: methyl 3-(2-azanylethanoylamino)-3-[4-(4-fluoranyl-2-oxidanyl-phenyl)phenyl]propanoate hydrochloride Openeye Name: methyl 3-[(2-aminoacetyl)amino]-3-[4-(4-fluoro-2-hydroxy-phenyl)phenyl]propanoate hydrochloride CAS Name: 3-[(2-amino-1-oxoethyl)amino]-3-[4-(4-fluoro-2-hydroxyphenyl)phenyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[(2-aminoacetyl)amino]-3-[4-(4-fluoro-2-hydroxyphenyl)phenyl]propanoate hydrochloride Traditional Name: 3-[4-(4-fluoro-2-hydroxy-phenyl)phenyl]-3-(glycylamino)propionic acid methyl ester hydrochloride Formula: C18H20ClFN2O4 MolecularWeight: 382.813803

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=C(C=C1)C2=C(C=C(C=C2)F)O)NC(=O)CN.Cl

Isomeric SMILES

COC(=O)CC(C1=CC=C(C=C1)C2=C(C=C(C=C2)F)O)NC(=O)CN.Cl

InChI

InChI=1S/C18H19FN2O4.ClH/c1-25-18(24)9-15(21-17(23)10-20)12-4-2-11(3-5-12)14-7-6-13(19)8-16(14)22;/h2-8,15,22H,9-10,20H2,1H3,(H,21,23);1H