5-[2-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]propyl]-1-[(4-dimethoxyphosphorylphenyl)methyl]indole-2-carboxylic acid

Systemtic Name: 5-[2-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]propyl]-1-[(4-dimethoxyphosphorylphenyl)methyl]indole-2-carboxylic acid Openeye Name: 5-[2-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]propyl]-1-[(4-dimethoxyphosphorylphenyl)methyl]indole-2-carboxylic acid CAS Name: 5-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1-[(4-dimethoxyphosphorylphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 5-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1-[(4-dimethoxyphosphorylphenyl)methyl]indole-2-carboxylic acid Traditional Name: 5-[2-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]propyl]-1-(4-dimethoxyphosphorylbenzyl)indole-2-carboxylic acid Formula: C29H32ClN2O6P MolecularWeight: 571.000941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)N(C(=C2)C(=O)O)CC3=CC=C(C=C3)P(=O)(OC)OC)NCC(C4=CC(=CC=C4)Cl)O

Isomeric SMILES

CC(CC1=CC2=C(C=C1)N(C(=C2)C(=O)O)CC3=CC=C(C=C3)P(=O)(OC)OC)NCC(C4=CC(=CC=C4)Cl)O

InChI

InChI=1S/C29H32ClN2O6P/c1-19(31-17-28(33)22-5-4-6-24(30)15-22)13-21-9-12-26-23(14-21)16-27(29(34)35)32(26)18-20-7-10-25(11-8-20)39(36,37-2)38-3/h4-12,14-16,19,28,31,33H,13,17-18H2,1-3H3,(H,34,35)