[2-(2-methyl-4-oxidanyl-phenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-6-yl]phosphonic acid

Systemtic Name: [2-(2-methyl-4-oxidanyl-phenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-6-yl]phosphonic acid Openeye Name: [2-(4-hydroxy-2-methyl-phenyl)-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-6-yl]phosphonic acid CAS Name: [2-(4-hydroxy-2-methylphenyl)-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-6-yl]phosphonic acid IUPAC Name: [2-(4-hydroxy-2-methylphenyl)-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl]phosphonic acid Traditional Name: [2-(4-hydroxy-2-methyl-phenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-6-yl]phosphonic acid Formula: C29H30NO6PS MolecularWeight: 551.590361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)C2=C(C3=C(S2)C=C(C=C3)P(=O)(O)O)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CC1=C(C=CC(=C1)O)C2=C(C3=C(S2)C=C(C=C3)P(=O)(O)O)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C29H30NO6PS/c1-19-17-21(31)7-11-24(19)29-27(25-12-10-23(37(33,34)35)18-26(25)38-29)28(32)20-5-8-22(9-6-20)36-16-15-30-13-3-2-4-14-30/h5-12,17-18,31H,2-4,13-16H2,1H3,(H2,33,34,35)