ethyl 2-azanyl-4-[3,4-bis(oxidanyl)hexan-3-yl]benzoate

Systemtic Name: ethyl 2-azanyl-4-[3,4-bis(oxidanyl)hexan-3-yl]benzoate Openeye Name: ethyl 2-amino-4-(1-ethyl-1,2-dihydroxy-butyl)benzoate CAS Name: 2-amino-4-(3,4-dihydroxyhexan-3-yl)benzoic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(3,4-dihydroxyhexan-3-yl)benzoate Traditional Name: 2-amino-4-(1-ethyl-1,2-dihydroxy-butyl)benzoic acid ethyl ester Formula: C15H23NO4 MolecularWeight: 281.34742

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC)(C1=CC(=C(C=C1)C(=O)OCC)N)O)O

Isomeric SMILES

CCC(C(CC)(C1=CC(=C(C=C1)C(=O)OCC)N)O)O

InChI

InChI=1S/C15H23NO4/c1-4-13(17)15(19,5-2)10-7-8-11(12(16)9-10)14(18)20-6-3/h7-9,13,17,19H,4-6,16H2,1-3H3