(Z)-2-[[(1-azanyl-2-cyclohexyl-ethyl)-oxidanyl-phosphoryl]methyl]-3-(3-iodanylphenyl)prop-2-enoic acid

Systemtic Name: (Z)-2-[[(1-azanyl-2-cyclohexyl-ethyl)-oxidanyl-phosphoryl]methyl]-3-(3-iodanylphenyl)prop-2-enoic acid Openeye Name: (Z)-2-[[(1-amino-2-cyclohexyl-ethyl)-hydroxy-phosphoryl]methyl]-3-(3-iodophenyl)prop-2-enoic acid CAS Name: (Z)-2-[[(1-amino-2-cyclohexylethyl)-hydroxyphosphoryl]methyl]-3-(3-iodophenyl)-2-propenoic acid IUPAC Name: (Z)-2-[[(1-amino-2-cyclohexylethyl)-hydroxyphosphoryl]methyl]-3-(3-iodophenyl)prop-2-enoic acid Traditional Name: (Z)-2-[[(1-amino-2-cyclohexyl-ethyl)-hydroxy-phosphoryl]methyl]-3-(3-iodophenyl)acrylic acid Formula: C18H25INO4P MolecularWeight: 477.273631

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(N)P(=O)(CC(=CC2=CC(=CC=C2)I)C(=O)O)O

Isomeric SMILES

C1CCC(CC1)CC(N)P(=O)(C/C(=C\C2=CC(=CC=C2)I)/C(=O)O)O

InChI

InChI=1S/C18H25INO4P/c19-16-8-4-7-14(10-16)9-15(18(21)22)12-25(23,24)17(20)11-13-5-2-1-3-6-13/h4,7-10,13,17H,1-3,5-6,11-12,20H2,(H,21,22)(H,23,24)/b15-9+