methyl 2-[2-(2-aminocarbonylphenyl)-3-[1-(4-cyclohexylbutylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]phenyl]ethanoate

Systemtic Name: methyl 2-[2-(2-aminocarbonylphenyl)-3-[1-(4-cyclohexylbutylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]phenyl]ethanoate Openeye Name: methyl 2-[2-(2-carbamoylphenyl)-3-[2-(4-cyclohexylbutylamino)-1-(hydroxymethyl)-2-oxo-ethyl]phenyl]acetate CAS Name: 2-[2-(2-carbamoylphenyl)-3-[1-(4-cyclohexylbutylamino)-3-hydroxy-1-oxopropan-2-yl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-carbamoylphenyl)-3-[1-(4-cyclohexylbutylamino)-3-hydroxy-1-oxopropan-2-yl]phenyl]acetate Traditional Name: 2-[2-(2-carbamoylphenyl)-3-[2-(4-cyclohexylbutylamino)-2-keto-1-methylol-ethyl]phenyl]acetic acid methyl ester Formula: C29H38N2O5 MolecularWeight: 494.62242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C(=CC=C1)C(CO)C(=O)NCCCCC2CCCCC2)C3=CC=CC=C3C(=O)N

Isomeric SMILES

COC(=O)CC1=C(C(=CC=C1)C(CO)C(=O)NCCCCC2CCCCC2)C3=CC=CC=C3C(=O)N

InChI

InChI=1S/C29H38N2O5/c1-36-26(33)18-21-13-9-16-23(27(21)22-14-5-6-15-24(22)28(30)34)25(19-32)29(35)31-17-8-7-12-20-10-3-2-4-11-20/h5-6,9,13-16,20,25,32H,2-4,7-8,10-12,17-19H2,1H3,(H2,30,34)(H,31,35)