2-[[2-oxidanylidene-1-(1-oxidanylidene-1-phenylmethoxy-propan-2-yl)azocan-3-yl]amino]-4-phenyl-butanoic acid

Systemtic Name: 2-[[2-oxidanylidene-1-(1-oxidanylidene-1-phenylmethoxy-propan-2-yl)azocan-3-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[1-(2-benzyloxy-1-methyl-2-oxo-ethyl)-2-oxo-azocan-3-yl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[2-oxo-1-(1-oxo-1-phenylmethoxypropan-2-yl)-3-azocanyl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[2-oxo-1-(1-oxo-1-phenylmethoxypropan-2-yl)azocan-3-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[1-(2-benzoxy-2-keto-1-methyl-ethyl)-2-keto-azocan-3-yl]amino]-4-phenyl-butyric acid Formula: C27H34N2O5 MolecularWeight: 466.56926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)N2CCCCCC(C2=O)NC(CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1)N2CCCCCC(C2=O)NC(CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C27H34N2O5/c1-20(27(33)34-19-22-13-7-3-8-14-22)29-18-10-4-9-15-23(25(29)30)28-24(26(31)32)17-16-21-11-5-2-6-12-21/h2-3,5-8,11-14,20,23-24,28H,4,9-10,15-19H2,1H3,(H,31,32)