methyl 4-[2,3-bis(azanyl)propoxymethyl]benzoate

Systemtic Name: methyl 4-[2,3-bis(azanyl)propoxymethyl]benzoate Openeye Name: methyl 4-(2,3-diaminopropoxymethyl)benzoate CAS Name: 4-(2,3-diaminopropoxymethyl)benzoic acid methyl ester IUPAC Name: methyl 4-(2,3-diaminopropoxymethyl)benzoate Traditional Name: 4-(2,3-diaminopropoxymethyl)benzoic acid methyl ester Formula: C12H18N2O3 MolecularWeight: 238.28292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COCC(CN)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COCC(CN)N

InChI

InChI=1S/C12H18N2O3/c1-16-12(15)10-4-2-9(3-5-10)7-17-8-11(14)6-13/h2-5,11H,6-8,13-14H2,1H3