methyl 3-[[4-[3-(cyclobutylmethylsulfonyl)-4-oxidanyl-phenoxy]-3,5-dimethyl-phenyl]amino]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[[4-[3-(cyclobutylmethylsulfonyl)-4-oxidanyl-phenoxy]-3,5-dimethyl-phenyl]amino]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[4-[3-(cyclobutylmethylsulfonyl)-4-hydroxy-phenoxy]-3,5-dimethyl-anilino]-3-oxo-propanoate CAS Name: 3-[4-[3-(cyclobutylmethylsulfonyl)-4-hydroxyphenoxy]-3,5-dimethylanilino]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(cyclobutylmethylsulfonyl)-4-hydroxyphenoxy]-3,5-dimethylanilino]-3-oxopropanoate Traditional Name: 3-[4-[3-(cyclobutylmethylsulfonyl)-4-hydroxy-phenoxy]-3,5-dimethyl-anilino]-3-keto-propionic acid methyl ester Formula: C23H27NO7S MolecularWeight: 461.52798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)CC3CCC3)C)NC(=O)CC(=O)OC

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)CC3CCC3)C)NC(=O)CC(=O)OC

InChI

InChI=1S/C23H27NO7S/c1-14-9-17(24-21(26)12-22(27)30-3)10-15(2)23(14)31-18-7-8-19(25)20(11-18)32(28,29)13-16-5-4-6-16/h7-11,16,25H,4-6,12-13H2,1-3H3,(H,24,26)