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

Systemtic Name: butyl 4-[[4-(azepan-1-ylmethyl)phenyl]carbonylamino]benzoate Openeye Name: butyl 4-[[4-(azepan-1-ylmethyl)benzoyl]amino]benzoate CAS Name: 4-[[[4-(1-azepanylmethyl)phenyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[4-(azepan-1-ylmethyl)benzoyl]amino]benzoate Traditional Name: 4-[[4-(azepan-1-ylmethyl)benzoyl]amino]benzoic acid butyl ester Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O3/c1-2-3-18-30-25(29)22-12-14-23(15-13-22)26-24(28)21-10-8-20(9-11-21)19-27-16-6-4-5-7-17-27/h8-15H,2-7,16-19H2,1H3,(H,26,28)