methyl (2S)-2-[2-cyanoethanoyl-[(4-fluorophenyl)methyl]amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[2-cyanoethanoyl-[(4-fluorophenyl)methyl]amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[(2-cyanoacetyl)-[(4-fluorophenyl)methyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[(2-cyano-1-oxoethyl)-[(4-fluorophenyl)methyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-cyanoacetyl)-[(4-fluorophenyl)methyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[(2-cyanoacetyl)-(4-fluorobenzyl)amino]-4-methyl-valeric acid methyl ester Formula: C17H21FN2O3 MolecularWeight: 320.358643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)N(CC1=CC=C(C=C1)F)C(=O)CC#N

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)N(CC1=CC=C(C=C1)F)C(=O)CC#N

InChI

InChI=1S/C17H21FN2O3/c1-12(2)10-15(17(22)23-3)20(16(21)8-9-19)11-13-4-6-14(18)7-5-13/h4-7,12,15H,8,10-11H2,1-3H3/t15-/m0/s1