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

Systemtic Name: methyl 4-[2-(2-aminocarbonylphenyl)-3-[1-(4-cyclohexylbutylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]phenyl]butanoate Openeye Name: methyl 4-[2-(2-carbamoylphenyl)-3-[2-(4-cyclohexylbutylamino)-1-(hydroxymethyl)-2-oxo-ethyl]phenyl]butanoate CAS Name: 4-[2-(2-carbamoylphenyl)-3-[1-(4-cyclohexylbutylamino)-3-hydroxy-1-oxopropan-2-yl]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[2-(2-carbamoylphenyl)-3-[1-(4-cyclohexylbutylamino)-3-hydroxy-1-oxopropan-2-yl]phenyl]butanoate Traditional Name: 4-[2-(2-carbamoylphenyl)-3-[2-(4-cyclohexylbutylamino)-2-keto-1-methylol-ethyl]phenyl]butyric acid methyl ester Formula: C31H42N2O5 MolecularWeight: 522.67558

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=C(C(=CC=C1)C(CO)C(=O)NCCCCC2CCCCC2)C3=CC=CC=C3C(=O)N

Isomeric SMILES

COC(=O)CCCC1=C(C(=CC=C1)C(CO)C(=O)NCCCCC2CCCCC2)C3=CC=CC=C3C(=O)N

InChI

InChI=1S/C31H42N2O5/c1-38-28(35)19-10-15-23-14-9-18-25(29(23)24-16-5-6-17-26(24)30(32)36)27(21-34)31(37)33-20-8-7-13-22-11-3-2-4-12-22/h5-6,9,14,16-18,22,27,34H,2-4,7-8,10-13,15,19-21H2,1H3,(H2,32,36)(H,33,37)