[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 5-(cyclohexylamino)-5-oxidanylidene-pentanoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 5-(cyclohexylamino)-5-oxidanylidene-pentanoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 5-(cyclohexylamino)-5-oxo-pentanoate CAS Name: 5-(cyclohexylamino)-5-oxopentanoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 5-(cyclohexylamino)-5-oxopentanoate Traditional Name: 5-(cyclohexylamino)-5-keto-valeric acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H29NO4 MolecularWeight: 359.45926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CCCC(=O)NC2CCCCC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCCC(=O)NC2CCCCC2)C

InChI

InChI=1S/C21H29NO4/c1-15-11-12-17(13-16(15)2)19(23)14-26-21(25)10-6-9-20(24)22-18-7-4-3-5-8-18/h11-13,18H,3-10,14H2,1-2H3,(H,22,24)