methyl 4-[2-(cyclohexylamino)ethanoyl-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: methyl 4-[2-(cyclohexylamino)ethanoyl-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: methyl 4-[[2-(cyclohexylamino)acetyl]-[2-(cyclohexylamino)-2-oxo-ethyl]amino]benzoate CAS Name: 4-[[2-(cyclohexylamino)-1-oxoethyl]-[2-(cyclohexylamino)-2-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(cyclohexylamino)acetyl]-[2-(cyclohexylamino)-2-oxoethyl]amino]benzoate Traditional Name: 4-[[2-(cyclohexylamino)acetyl]-[2-(cyclohexylamino)-2-keto-ethyl]amino]benzoic acid methyl ester Formula: C24H35N3O4 MolecularWeight: 429.5524

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N(CC(=O)NC2CCCCC2)C(=O)CNC3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N(CC(=O)NC2CCCCC2)C(=O)CNC3CCCCC3

InChI

InChI=1S/C24H35N3O4/c1-31-24(30)18-12-14-21(15-13-18)27(17-22(28)26-20-10-6-3-7-11-20)23(29)16-25-19-8-4-2-5-9-19/h12-15,19-20,25H,2-11,16-17H2,1H3,(H,26,28)