methyl 2-oxidanyl-5-[3-[(phenylmethyl)amino]propyl]benzoate

Systemtic Name: methyl 2-oxidanyl-5-[3-[(phenylmethyl)amino]propyl]benzoate Openeye Name: methyl 5-[3-(benzylamino)propyl]-2-hydroxy-benzoate CAS Name: 2-hydroxy-5-[3-[(phenylmethyl)amino]propyl]benzoic acid methyl ester IUPAC Name: methyl 5-[3-(benzylamino)propyl]-2-hydroxybenzoate Traditional Name: 5-[3-(benzylamino)propyl]-2-hydroxy-benzoic acid methyl ester Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)CCCNCC2=CC=CC=C2)O

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)CCCNCC2=CC=CC=C2)O

InChI

InChI=1S/C18H21NO3/c1-22-18(21)16-12-14(9-10-17(16)20)8-5-11-19-13-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,19-20H,5,8,11,13H2,1H3