4-(3-methyl-2-pyridin-3-yl-indol-1-yl)butylphosphonic acid

Systemtic Name: 4-(3-methyl-2-pyridin-3-yl-indol-1-yl)butylphosphonic acid Openeye Name: 4-[3-methyl-2-(3-pyridyl)indol-1-yl]butylphosphonic acid CAS Name: 4-[3-methyl-2-(3-pyridinyl)-1-indolyl]butylphosphonic acid IUPAC Name: 4-(3-methyl-2-pyridin-3-ylindol-1-yl)butylphosphonic acid Traditional Name: 4-[3-methyl-2-(3-pyridyl)indol-1-yl]butylphosphonic acid Formula: C18H21N2O3P MolecularWeight: 344.344701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)CCCCP(=O)(O)O)C3=CN=CC=C3

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)CCCCP(=O)(O)O)C3=CN=CC=C3

InChI

InChI=1S/C18H21N2O3P/c1-14-16-8-2-3-9-17(16)20(11-4-5-12-24(21,22)23)18(14)15-7-6-10-19-13-15/h2-3,6-10,13H,4-5,11-12H2,1H3,(H2,21,22,23)