13-cyclohexyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylic acid

Systemtic Name: 13-cyclohexyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylic acid Openeye Name: 13-cyclohexyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylic acid CAS Name: 13-cyclohexyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylic acid IUPAC Name: 13-cyclohexyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylic acid Traditional Name: 13-cyclohexyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylic acid Formula: C25H23NO4 MolecularWeight: 401.45442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C3C4=CC=CC=C4C=C(CN3C5=C2C=CC(=C5)C(=O)O)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=C3C4=CC=CC=C4C=C(CN3C5=C2C=CC(=C5)C(=O)O)C(=O)O

InChI

InChI=1S/C25H23NO4/c27-24(28)17-10-11-20-21(13-17)26-14-18(25(29)30)12-16-8-4-5-9-19(16)23(26)22(20)15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7,14H2,(H,27,28)(H,29,30)