[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate

Systemtic Name: [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate Openeye Name: [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxo-ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [2-[cyclohexyl-(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C25H29FN2O4 MolecularWeight: 440.507163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N(CC1=CC=C(C=C1)F)C2CCCCC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)N(CC1=CC=C(C=C1)F)C2CCCCC2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H29FN2O4/c1-18(27-24(30)20-8-4-2-5-9-20)25(31)32-17-23(29)28(22-10-6-3-7-11-22)16-19-12-14-21(26)15-13-19/h2,4-5,8-9,12-15,18,22H,3,6-7,10-11,16-17H2,1H3,(H,27,30)/t18-/m0/s1