10-oxidanylidene-11-phenyl-2-phenylmethoxy-6,7,8,9-tetrahydroazepino[1,2-a]indole-9-carboxylic acid

Systemtic Name: 10-oxidanylidene-11-phenyl-2-phenylmethoxy-6,7,8,9-tetrahydroazepino[1,2-a]indole-9-carboxylic acid Openeye Name: 2-benzyloxy-10-oxo-11-phenyl-6,7,8,9-tetrahydroazepino[1,2-a]indole-9-carboxylic acid CAS Name: 10-oxo-11-phenyl-2-phenylmethoxy-6,7,8,9-tetrahydroazepino[1,2-a]indole-9-carboxylic acid IUPAC Name: 10-oxo-11-phenyl-2-phenylmethoxy-6,7,8,9-tetrahydroazepino[1,2-a]indole-9-carboxylic acid Traditional Name: 2-benzoxy-10-keto-11-phenyl-6,7,8,9-tetrahydroazepin[1,2-a]indole-9-carboxylic acid Formula: C27H23NO4 MolecularWeight: 425.47582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C2=C(C3=C(N2C1)C=CC(=C3)OCC4=CC=CC=C4)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CC(C(=O)C2=C(C3=C(N2C1)C=CC(=C3)OCC4=CC=CC=C4)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C27H23NO4/c29-26-21(27(30)31)12-7-15-28-23-14-13-20(32-17-18-8-3-1-4-9-18)16-22(23)24(25(26)28)19-10-5-2-6-11-19/h1-6,8-11,13-14,16,21H,7,12,15,17H2,(H,30,31)