methyl 2-azanyl-3-(1,3-dioxan-2-ylmethyl)benzoate

Systemtic Name: methyl 2-azanyl-3-(1,3-dioxan-2-ylmethyl)benzoate Openeye Name: methyl 2-amino-3-(1,3-dioxan-2-ylmethyl)benzoate CAS Name: 2-amino-3-(1,3-dioxan-2-ylmethyl)benzoic acid methyl ester IUPAC Name: methyl 2-amino-3-(1,3-dioxan-2-ylmethyl)benzoate Traditional Name: 2-amino-3-(1,3-dioxan-2-ylmethyl)benzoic acid methyl ester Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)CC2OCCCO2)N

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)CC2OCCCO2)N

InChI

InChI=1S/C13H17NO4/c1-16-13(15)10-5-2-4-9(12(10)14)8-11-17-6-3-7-18-11/h2,4-5,11H,3,6-8,14H2,1H3