N-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-fluoranyl-benzamide Openeye Name: N-[(1S)-1-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-2-methyl-propyl]-4-fluoro-benzamide CAS Name: N-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide IUPAC Name: N-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide Traditional Name: 4-fluoro-N-[(1S)-1-(homoveratrylcarbamoyl)-2-methyl-propyl]benzamide Formula: C22H27FN2O4 MolecularWeight: 402.459183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCC1=CC(=C(C=C1)OC)OC)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCC1=CC(=C(C=C1)OC)OC)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C22H27FN2O4/c1-14(2)20(25-21(26)16-6-8-17(23)9-7-16)22(27)24-12-11-15-5-10-18(28-3)19(13-15)29-4/h5-10,13-14,20H,11-12H2,1-4H3,(H,24,27)(H,25,26)/t20-/m0/s1