[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)methyl]phenoxy]methylphosphonic acid

Systemtic Name: [3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)methyl]phenoxy]methylphosphonic acid Openeye Name: [4-[(3-isopropyl-1H-indol-5-yl)methyl]-3,5-dimethyl-phenoxy]methylphosphonic acid CAS Name: [3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)methyl]phenoxy]methylphosphonic acid IUPAC Name: [3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)methyl]phenoxy]methylphosphonic acid Traditional Name: [4-[(3-isopropyl-1H-indol-5-yl)methyl]-3,5-dimethyl-phenoxy]methylphosphonic acid Formula: C21H26NO4P MolecularWeight: 387.409201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC2=CC3=C(C=C2)NC=C3C(C)C)C)OCP(=O)(O)O

Isomeric SMILES

CC1=CC(=CC(=C1CC2=CC3=C(C=C2)NC=C3C(C)C)C)OCP(=O)(O)O

InChI

InChI=1S/C21H26NO4P/c1-13(2)20-11-22-21-6-5-16(10-19(20)21)9-18-14(3)7-17(8-15(18)4)26-12-27(23,24)25/h5-8,10-11,13,22H,9,12H2,1-4H3,(H2,23,24,25)