3-methyl-2-(4-phenoxybutylamino)benzoic acid

Systemtic Name: 3-methyl-2-(4-phenoxybutylamino)benzoic acid Openeye Name: 3-methyl-2-(4-phenoxybutylamino)benzoic acid CAS Name: 3-methyl-2-(4-phenoxybutylamino)benzoic acid IUPAC Name: 3-methyl-2-(4-phenoxybutylamino)benzoic acid Traditional Name: 3-methyl-2-(4-phenoxybutylamino)benzoic acid Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NCCCCOC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1NCCCCOC2=CC=CC=C2)C(=O)O

InChI

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