methyl 3-[1-(hexoxycarbonylamino)-2-phosphonooxy-propyl]benzoate

Systemtic Name: methyl 3-[1-(hexoxycarbonylamino)-2-phosphonooxy-propyl]benzoate Openeye Name: methyl 3-[1-(hexoxycarbonylamino)-2-phosphonooxy-propyl]benzoate CAS Name: 3-[1-[[hexoxy(oxo)methyl]amino]-2-phosphonooxypropyl]benzoic acid methyl ester IUPAC Name: methyl 3-[1-(hexoxycarbonylamino)-2-phosphonooxypropyl]benzoate Traditional Name: 3-[1-(hexoxycarbonylamino)-2-phosphonooxy-propyl]benzoic acid methyl ester Formula: C18H28NO8P MolecularWeight: 417.390581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)NC(C1=CC=CC(=C1)C(=O)OC)C(C)OP(=O)(O)O

Isomeric SMILES

CCCCCCOC(=O)NC(C1=CC=CC(=C1)C(=O)OC)C(C)OP(=O)(O)O

InChI

InChI=1S/C18H28NO8P/c1-4-5-6-7-11-26-18(21)19-16(13(2)27-28(22,23)24)14-9-8-10-15(12-14)17(20)25-3/h8-10,12-13,16H,4-7,11H2,1-3H3,(H,19,21)(H2,22,23,24)