methyl 3-azanyl-5-[2,3-bis(oxidanyl)propoxy]-4-(3-methoxyphenoxy)benzoate

Systemtic Name: methyl 3-azanyl-5-[2,3-bis(oxidanyl)propoxy]-4-(3-methoxyphenoxy)benzoate Openeye Name: methyl 3-amino-5-(2,3-dihydroxypropoxy)-4-(3-methoxyphenoxy)benzoate CAS Name: 3-amino-5-(2,3-dihydroxypropoxy)-4-(3-methoxyphenoxy)benzoic acid methyl ester IUPAC Name: methyl 3-amino-5-(2,3-dihydroxypropoxy)-4-(3-methoxyphenoxy)benzoate Traditional Name: 3-amino-5-glyceryloxy-4-(3-methoxyphenoxy)benzoic acid methyl ester Formula: C18H21NO7 MolecularWeight: 363.36184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)OC2=C(C=C(C=C2OCC(CO)O)C(=O)OC)N

Isomeric SMILES

COC1=CC=CC(=C1)OC2=C(C=C(C=C2OCC(CO)O)C(=O)OC)N

InChI

InChI=1S/C18H21NO7/c1-23-13-4-3-5-14(8-13)26-17-15(19)6-11(18(22)24-2)7-16(17)25-10-12(21)9-20/h3-8,12,20-21H,9-10,19H2,1-2H3