[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-methoxy-4-(3-methylbutoxy)benzoate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-methoxy-4-(3-methylbutoxy)benzoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 4-isopentyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(3-methylbutoxy)benzoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-methoxy-4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxy-3-methoxy-benzoic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C22H26FNO5 MolecularWeight: 403.443943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)F)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)F)OC

InChI

InChI=1S/C22H26FNO5/c1-15(2)10-11-28-19-9-6-17(12-20(19)27-3)22(26)29-14-21(25)24-13-16-4-7-18(23)8-5-16/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,24,25)