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

Systemtic Name: methyl (2S)-2-[[1-[4-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]phenoxy]cyclopentyl]carbonylamino]-3-(4-hydroxyphenyl)propanoate Openeye Name: methyl (2S)-2-[[1-[4-[2-(3,5-dimethylanilino)-2-oxo-ethyl]phenoxy]cyclopentanecarbonyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[[1-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]cyclopentyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]cyclopentanecarbonyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[[1-[4-[2-(3,5-dimethylanilino)-2-keto-ethyl]phenoxy]cyclopentanecarbonyl]amino]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C32H36N2O6 MolecularWeight: 544.63804

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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(CC4=CC=C(C=C4)O)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)OC3(CCCC3)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)OC)C

InChI

InChI=1S/C32H36N2O6/c1-21-16-22(2)18-25(17-21)33-29(36)20-24-8-12-27(13-9-24)40-32(14-4-5-15-32)31(38)34-28(30(37)39-3)19-23-6-10-26(35)11-7-23/h6-13,16-18,28,35H,4-5,14-15,19-20H2,1-3H3,(H,33,36)(H,34,38)/t28-/m0/s1