4-phenylbutyl 5-azanyl-2-oxidanyl-benzoate

Systemtic Name: 4-phenylbutyl 5-azanyl-2-oxidanyl-benzoate Openeye Name: 4-phenylbutyl 5-amino-2-hydroxy-benzoate CAS Name: 5-amino-2-hydroxybenzoic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl 5-amino-2-hydroxybenzoate Traditional Name: 5-amino-2-hydroxy-benzoic acid 4-phenylbutyl ester Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCOC(=O)C2=C(C=CC(=C2)N)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCOC(=O)C2=C(C=CC(=C2)N)O

InChI

InChI=1S/C17H19NO3/c18-14-9-10-16(19)15(12-14)17(20)21-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12,19H,4-5,8,11,18H2