3-azanyl-4-heptoxy-2-phenyl-benzoate

Systemtic Name: 3-azanyl-4-heptoxy-2-phenyl-benzoate Openeye Name: 3-amino-4-heptoxy-2-phenyl-benzoate CAS Name: 3-amino-4-heptoxy-2-phenylbenzoate IUPAC Name: 3-amino-4-heptoxy-2-phenylbenzoate Traditional Name: 3-amino-4-heptoxy-2-phenyl-benzoate Formula: C20H24NO3- MolecularWeight: 326.40946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C(=C(C=C1)C(=O)[O-])C2=CC=CC=C2)N

Isomeric SMILES

CCCCCCCOC1=C(C(=C(C=C1)C(=O)[O-])C2=CC=CC=C2)N

InChI

InChI=1S/C20H25NO3/c1-2-3-4-5-9-14-24-17-13-12-16(20(22)23)18(19(17)21)15-10-7-6-8-11-15/h6-8,10-13H,2-5,9,14,21H2,1H3,(H,22,23)/p-1