methyl 5-[2-[4-(3-fluorophenyl)butan-2-ylamino]-1-oxidanyl-ethyl]-2-oxidanyl-benzoate

Systemtic Name: methyl 5-[2-[4-(3-fluorophenyl)butan-2-ylamino]-1-oxidanyl-ethyl]-2-oxidanyl-benzoate Openeye Name: methyl 5-[2-[[3-(3-fluorophenyl)-1-methyl-propyl]amino]-1-hydroxy-ethyl]-2-hydroxy-benzoate CAS Name: 5-[2-[4-(3-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 5-[2-[4-(3-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzoate Traditional Name: 5-[2-[[3-(3-fluorophenyl)-1-methyl-propyl]amino]-1-hydroxy-ethyl]-2-hydroxy-benzoic acid methyl ester Formula: C20H24FNO4 MolecularWeight: 361.407263

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC(=CC=C1)F)NCC(C2=CC(=C(C=C2)O)C(=O)OC)O

Isomeric SMILES

CC(CCC1=CC(=CC=C1)F)NCC(C2=CC(=C(C=C2)O)C(=O)OC)O

InChI

InChI=1S/C20H24FNO4/c1-13(6-7-14-4-3-5-16(21)10-14)22-12-19(24)15-8-9-18(23)17(11-15)20(25)26-2/h3-5,8-11,13,19,22-24H,6-7,12H2,1-2H3