methyl (2S)-2-[[1-[4-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]phenoxy]cyclopentyl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-2-[[1-[4-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]phenoxy]cyclopentyl]carbonylamino]propanoate Openeye Name: methyl (2S)-2-[[1-[4-[2-(3,5-dimethylanilino)-2-oxo-ethyl]phenoxy]cyclopentanecarbonyl]amino]propanoate CAS Name: (2S)-2-[[[1-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]cyclopentyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]cyclopentanecarbonyl]amino]propanoate Traditional Name: (2S)-2-[[1-[4-[2-(3,5-dimethylanilino)-2-keto-ethyl]phenoxy]cyclopentanecarbonyl]amino]propionic acid methyl ester Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)OC3(CCCC3)C(=O)NC(C)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)OC3(CCCC3)C(=O)N[C@@H](C)C(=O)OC)C

InChI

InChI=1S/C26H32N2O5/c1-17-13-18(2)15-21(14-17)28-23(29)16-20-7-9-22(10-8-20)33-26(11-5-6-12-26)25(31)27-19(3)24(30)32-4/h7-10,13-15,19H,5-6,11-12,16H2,1-4H3,(H,27,31)(H,28,29)/t19-/m0/s1