methyl 3-[[4-(azepan-1-ylmethyl)phenyl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[4-(azepan-1-ylmethyl)phenyl]carbonylamino]benzoate Openeye Name: methyl 3-[[4-(azepan-1-ylmethyl)benzoyl]amino]benzoate CAS Name: 3-[[[4-(1-azepanylmethyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(azepan-1-ylmethyl)benzoyl]amino]benzoate Traditional Name: 3-[[4-(azepan-1-ylmethyl)benzoyl]amino]benzoic acid methyl ester Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)CN3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)CN3CCCCCC3

InChI

InChI=1S/C22H26N2O3/c1-27-22(26)19-7-6-8-20(15-19)23-21(25)18-11-9-17(10-12-18)16-24-13-4-2-3-5-14-24/h6-12,15H,2-5,13-14,16H2,1H3,(H,23,25)