4-(3-azanyl-4-octoxy-phenyl)benzoic acid

Systemtic Name: 4-(3-azanyl-4-octoxy-phenyl)benzoic acid Openeye Name: 4-(3-amino-4-octoxy-phenyl)benzoic acid CAS Name: 4-(3-amino-4-octoxyphenyl)benzoic acid IUPAC Name: 4-(3-amino-4-octoxyphenyl)benzoic acid Traditional Name: 4-(3-amino-4-octoxy-phenyl)benzoic acid Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)N

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)N

InChI

InChI=1S/C21H27NO3/c1-2-3-4-5-6-7-14-25-20-13-12-18(15-19(20)22)16-8-10-17(11-9-16)21(23)24/h8-13,15H,2-7,14,22H2,1H3,(H,23,24)