2-[7-oxidanylidene-6-(2-oxidanylidene-2-phenylmethoxy-ethyl)-1-phenyl-3,6-dihydro-2H-azepin-4-yl]ethanoic acid

Systemtic Name: 2-[7-oxidanylidene-6-(2-oxidanylidene-2-phenylmethoxy-ethyl)-1-phenyl-3,6-dihydro-2H-azepin-4-yl]ethanoic acid Openeye Name: 2-[6-(2-benzyloxy-2-oxo-ethyl)-7-oxo-1-phenyl-3,6-dihydro-2H-azepin-4-yl]acetic acid CAS Name: 2-[7-oxo-6-(2-oxo-2-phenylmethoxyethyl)-1-phenyl-3,6-dihydro-2H-azepin-4-yl]acetic acid IUPAC Name: 2-[7-oxo-6-(2-oxo-2-phenylmethoxyethyl)-1-phenyl-3,6-dihydro-2H-azepin-4-yl]acetic acid Traditional Name: 2-[6-(2-benzoxy-2-keto-ethyl)-7-keto-1-phenyl-3,6-dihydro-2H-azepin-4-yl]acetic acid Formula: C23H23NO5 MolecularWeight: 393.43242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(C=C1CC(=O)O)CC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1CN(C(=O)C(C=C1CC(=O)O)CC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H23NO5/c25-21(26)14-18-11-12-24(20-9-5-2-6-10-20)23(28)19(13-18)15-22(27)29-16-17-7-3-1-4-8-17/h1-10,13,19H,11-12,14-16H2,(H,25,26)