quinolin-2-ylmethyl (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: quinolin-2-ylmethyl (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: 2-quinolylmethyl (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid 2-quinolinylmethyl ester IUPAC Name: quinolin-2-ylmethyl (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butyric acid 2-quinolylmethyl ester Formula: C22H21FN2O3 MolecularWeight: 380.412143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=NC2=CC=CC=C2C=C1)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=NC2=CC=CC=C2C=C1)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H21FN2O3/c1-14(2)20(25-21(26)17-8-4-5-9-18(17)23)22(27)28-13-16-12-11-15-7-3-6-10-19(15)24-16/h3-12,14,20H,13H2,1-2H3,(H,25,26)/t20-/m0/s1