4-[[4-[4-(4-ethoxyphenyl)-3-methyl-phenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]oxane-4-carboxylic acid

Systemtic Name: 4-[[4-[4-(4-ethoxyphenyl)-3-methyl-phenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]oxane-4-carboxylic acid Openeye Name: 4-[[4-[4-(4-ethoxyphenyl)-3-methyl-phenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]tetrahydropyran-4-carboxylic acid CAS Name: 4-[[4-[4-(4-ethoxyphenyl)-3-methylphenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-4-oxanecarboxylic acid IUPAC Name: 4-[[4-[4-(4-ethoxyphenyl)-3-methylphenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]oxane-4-carboxylic acid Traditional Name: 4-[[4-(3-methyl-4-p-phenetyl-phenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]tetrahydropyran-4-carboxylic acid Formula: C26H31NO6S MolecularWeight: 485.59244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C3=CCN(CC3)S(=O)(=O)C4(CCOCC4)C(=O)O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C3=CCN(CC3)S(=O)(=O)C4(CCOCC4)C(=O)O)C

InChI

InChI=1S/C26H31NO6S/c1-3-33-23-7-4-21(5-8-23)24-9-6-22(18-19(24)2)20-10-14-27(15-11-20)34(30,31)26(25(28)29)12-16-32-17-13-26/h4-10,18H,3,11-17H2,1-2H3,(H,28,29)