3-acetamido-4-heptoxy-2-phenyl-benzoate

Systemtic Name: 3-acetamido-4-heptoxy-2-phenyl-benzoate Openeye Name: 3-acetamido-4-heptoxy-2-phenyl-benzoate CAS Name: 3-acetamido-4-heptoxy-2-phenylbenzoate IUPAC Name: 3-acetamido-4-heptoxy-2-phenylbenzoate Traditional Name: 3-acetamido-4-heptoxy-2-phenyl-benzoate Formula: C22H26NO4- MolecularWeight: 368.44614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4/c1-3-4-5-6-10-15-27-19-14-13-18(22(25)26)20(21(19)23-16(2)24)17-11-8-7-9-12-17/h7-9,11-14H,3-6,10,15H2,1-2H3,(H,23,24)(H,25,26)/p-1