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

Systemtic Name: methyl 3-[2-(2-aminocarbonylphenyl)-3-[1-(4-cyclohexylbutylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]phenyl]propanoate Openeye Name: methyl 3-[2-(2-carbamoylphenyl)-3-[2-(4-cyclohexylbutylamino)-1-(hydroxymethyl)-2-oxo-ethyl]phenyl]propanoate CAS Name: 3-[2-(2-carbamoylphenyl)-3-[1-(4-cyclohexylbutylamino)-3-hydroxy-1-oxopropan-2-yl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2-carbamoylphenyl)-3-[1-(4-cyclohexylbutylamino)-3-hydroxy-1-oxopropan-2-yl]phenyl]propanoate Traditional Name: 3-[2-(2-carbamoylphenyl)-3-[2-(4-cyclohexylbutylamino)-2-keto-1-methylol-ethyl]phenyl]propionic acid methyl ester Formula: C30H40N2O5 MolecularWeight: 508.649

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(C(=CC=C1)C(CO)C(=O)NCCCCC2CCCCC2)C3=CC=CC=C3C(=O)N

Isomeric SMILES

COC(=O)CCC1=C(C(=CC=C1)C(CO)C(=O)NCCCCC2CCCCC2)C3=CC=CC=C3C(=O)N

InChI

InChI=1S/C30H40N2O5/c1-37-27(34)18-17-22-13-9-16-24(28(22)23-14-5-6-15-25(23)29(31)35)26(20-33)30(36)32-19-8-7-12-21-10-3-2-4-11-21/h5-6,9,13-16,21,26,33H,2-4,7-8,10-12,17-20H2,1H3,(H2,31,35)(H,32,36)