methyl 4-azanyl-3-(1,3-dioxan-2-ylmethyl)benzoate

Systemtic Name: methyl 4-azanyl-3-(1,3-dioxan-2-ylmethyl)benzoate Openeye Name: methyl 4-amino-3-(1,3-dioxan-2-ylmethyl)benzoate CAS Name: 4-amino-3-(1,3-dioxan-2-ylmethyl)benzoic acid methyl ester IUPAC Name: methyl 4-amino-3-(1,3-dioxan-2-ylmethyl)benzoate Traditional Name: 4-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=CC(=C(C=C1)N)CC2OCCCO2

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-16-13(15)9-3-4-11(14)10(7-9)8-12-17-5-2-6-18-12/h3-4,7,12H,2,5-6,8,14H2,1H3