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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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