methyl (2S,3S)-2-[[4-(4-fluorophenyl)piperazin-1-yl]carbonylamino]-3-methyl-pentanoate

Systemtic Name: methyl (2S,3S)-2-[[4-(4-fluorophenyl)piperazin-1-yl]carbonylamino]-3-methyl-pentanoate Openeye Name: methyl (2S,3S)-2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methyl-valeric acid methyl ester Formula: C18H26FN3O3 MolecularWeight: 351.415743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)N1CCN(CC1)C2=CC=C(C=C2)F

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC)NC(=O)N1CCN(CC1)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H26FN3O3/c1-4-13(2)16(17(23)25-3)20-18(24)22-11-9-21(10-12-22)15-7-5-14(19)6-8-15/h5-8,13,16H,4,9-12H2,1-3H3,(H,20,24)/t13-,16-/m0/s1