3-[[4-(2-azanylethyl)-2-oxidanyl-phenoxy]-oxidanyl-phosphoryl]oxypropyl 2,2-dimethylpropanoate

Systemtic Name: 3-[[4-(2-azanylethyl)-2-oxidanyl-phenoxy]-oxidanyl-phosphoryl]oxypropyl 2,2-dimethylpropanoate Openeye Name: 3-[[4-(2-aminoethyl)-2-hydroxy-phenoxy]-hydroxy-phosphoryl]oxypropyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 3-[[4-(2-aminoethyl)-2-hydroxyphenoxy]-hydroxyphosphoryl]oxypropyl ester IUPAC Name: 3-[[4-(2-aminoethyl)-2-hydroxyphenoxy]-hydroxyphosphoryl]oxypropyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 3-[[4-(2-aminoethyl)-2-hydroxy-phenoxy]-hydroxy-phosphoryl]oxypropyl ester Formula: C16H26NO7P MolecularWeight: 375.353901

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCCCOP(=O)(O)OC1=C(C=C(C=C1)CCN)O

Isomeric SMILES

CC(C)(C)C(=O)OCCCOP(=O)(O)OC1=C(C=C(C=C1)CCN)O

InChI

InChI=1S/C16H26NO7P/c1-16(2,3)15(19)22-9-4-10-23-25(20,21)24-14-6-5-12(7-8-17)11-13(14)18/h5-6,11,18H,4,7-10,17H2,1-3H3,(H,20,21)