[1-azanyl-3-(3-methylphenoxy)propan-2-yl] 2-(4-imidazol-1-ylphenoxy)ethyl hydrogen phosphate

Systemtic Name: [1-azanyl-3-(3-methylphenoxy)propan-2-yl] 2-(4-imidazol-1-ylphenoxy)ethyl hydrogen phosphate Openeye Name: [1-(aminomethyl)-2-(3-methylphenoxy)ethyl] 2-(4-imidazol-1-ylphenoxy)ethyl hydrogen phosphate CAS Name: [1-amino-3-(3-methylphenoxy)propan-2-yl] 2-[4-(1-imidazolyl)phenoxy]ethyl hydrogen phosphate IUPAC Name: [1-amino-3-(3-methylphenoxy)propan-2-yl] 2-(4-imidazol-1-ylphenoxy)ethyl hydrogen phosphate Traditional Name: [1-(aminomethyl)-2-(3-methylphenoxy)ethyl] 2-(4-imidazol-1-ylphenoxy)ethyl hydrogen phosphate Formula: C21H26N3O6P MolecularWeight: 447.421401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CN)OP(=O)(O)OCCOC2=CC=C(C=C2)N3C=CN=C3

Isomeric SMILES

CC1=CC(=CC=C1)OCC(CN)OP(=O)(O)OCCOC2=CC=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C21H26N3O6P/c1-17-3-2-4-20(13-17)28-15-21(14-22)30-31(25,26)29-12-11-27-19-7-5-18(6-8-19)24-10-9-23-16-24/h2-10,13,16,21H,11-12,14-15,22H2,1H3,(H,25,26)