4-[[5-chloranyl-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[5-chloranyl-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[5-chloro-2-(2-fluorobenzyl)oxy-benzyl]amino]-4-keto-butyrate Formula: C18H16ClFNO4- MolecularWeight: 364.775343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Cl)CNC(=O)CCC(=O)[O-])F

Isomeric SMILES

C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Cl)CNC(=O)CCC(=O)[O-])F

InChI

InChI=1S/C18H17ClFNO4/c19-14-5-6-16(25-11-12-3-1-2-4-15(12)20)13(9-14)10-21-17(22)7-8-18(23)24/h1-6,9H,7-8,10-11H2,(H,21,22)(H,23,24)/p-1