[1-[1-[(3-chlorophenyl)methyl]-2-ethyl-indol-5-yl]-3-oxidanylidene-propyl]phosphonic acid

Systemtic Name: [1-[1-[(3-chlorophenyl)methyl]-2-ethyl-indol-5-yl]-3-oxidanylidene-propyl]phosphonic acid Openeye Name: [1-[1-[(3-chlorophenyl)methyl]-2-ethyl-indol-5-yl]-3-oxo-propyl]phosphonic acid CAS Name: [1-[1-[(3-chlorophenyl)methyl]-2-ethyl-5-indolyl]-3-oxopropyl]phosphonic acid IUPAC Name: [1-[1-[(3-chlorophenyl)methyl]-2-ethylindol-5-yl]-3-oxopropyl]phosphonic acid Traditional Name: [1-[1-(3-chlorobenzyl)-2-ethyl-indol-5-yl]-3-keto-propyl]phosphonic acid Formula: C20H21ClNO4P MolecularWeight: 405.811801

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N1CC3=CC(=CC=C3)Cl)C=CC(=C2)C(CC=O)P(=O)(O)O

Isomeric SMILES

CCC1=CC2=C(N1CC3=CC(=CC=C3)Cl)C=CC(=C2)C(CC=O)P(=O)(O)O

InChI

InChI=1S/C20H21ClNO4P/c1-2-18-12-16-11-15(20(8-9-23)27(24,25)26)6-7-19(16)22(18)13-14-4-3-5-17(21)10-14/h3-7,9-12,20H,2,8,13H2,1H3,(H2,24,25,26)