methyl 6-(4-azanylbutoxy)-2-oxidanyl-3-phenyl-benzoate

Systemtic Name: methyl 6-(4-azanylbutoxy)-2-oxidanyl-3-phenyl-benzoate Openeye Name: methyl 6-(4-aminobutoxy)-2-hydroxy-3-phenyl-benzoate CAS Name: 6-(4-aminobutoxy)-2-hydroxy-3-phenylbenzoic acid methyl ester IUPAC Name: methyl 6-(4-aminobutoxy)-2-hydroxy-3-phenylbenzoate Traditional Name: 6-(4-aminobutoxy)-2-hydroxy-3-phenyl-benzoic acid methyl ester Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1O)C2=CC=CC=C2)OCCCCN

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1O)C2=CC=CC=C2)OCCCCN

InChI

InChI=1S/C18H21NO4/c1-22-18(21)16-15(23-12-6-5-11-19)10-9-14(17(16)20)13-7-3-2-4-8-13/h2-4,7-10,20H,5-6,11-12,19H2,1H3