4-phenylmethoxy-3-[(4-phenylmethoxyphenyl)carbonylamino]azepane-1-carboxylic acid

Systemtic Name: 4-phenylmethoxy-3-[(4-phenylmethoxyphenyl)carbonylamino]azepane-1-carboxylic acid Openeye Name: 4-benzyloxy-3-[(4-benzyloxybenzoyl)amino]azepane-1-carboxylic acid CAS Name: 3-[[oxo-(4-phenylmethoxyphenyl)methyl]amino]-4-phenylmethoxy-1-azepanecarboxylic acid IUPAC Name: 4-phenylmethoxy-3-[(4-phenylmethoxybenzoyl)amino]azepane-1-carboxylic acid Traditional Name: 4-benzoxy-3-[(4-benzoxybenzoyl)amino]azepane-1-carboxylic acid Formula: C28H30N2O5 MolecularWeight: 474.5482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CN(C1)C(=O)O)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CC(C(CN(C1)C(=O)O)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H30N2O5/c31-27(23-13-15-24(16-14-23)34-19-21-8-3-1-4-9-21)29-25-18-30(28(32)33)17-7-12-26(25)35-20-22-10-5-2-6-11-22/h1-6,8-11,13-16,25-26H,7,12,17-20H2,(H,29,31)(H,32,33)