2-[4-[[2-(3-chlorophenyl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-6-yl]amino]piperidin-1-yl]carbonylbenzoic acid

Systemtic Name: 2-[4-[[2-(3-chlorophenyl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-6-yl]amino]piperidin-1-yl]carbonylbenzoic acid Openeye Name: 2-[4-[[2-(3-chlorophenyl)-1,3-dioxo-benzo[de]isoquinolin-6-yl]amino]piperidine-1-carbonyl]benzoic acid CAS Name: 2-[[4-[[2-(3-chlorophenyl)-1,3-dioxo-6-benzo[de]isoquinolinyl]amino]-1-piperidinyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-[[2-(3-chlorophenyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]piperidine-1-carbonyl]benzoic acid Traditional Name: 2-[4-[[2-(3-chlorophenyl)-1,3-diketo-benzo[de]isoquinolin-6-yl]amino]piperidine-1-carbonyl]benzoic acid Formula: C31H24ClN3O5 MolecularWeight: 553.99236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)C5=CC(=CC=C5)Cl)C(=O)C6=CC=CC=C6C(=O)O

Isomeric SMILES

C1CN(CCC1NC2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)C5=CC(=CC=C5)Cl)C(=O)C6=CC=CC=C6C(=O)O

InChI

InChI=1S/C31H24ClN3O5/c32-18-5-3-6-20(17-18)35-29(37)24-10-4-9-23-26(12-11-25(27(23)24)30(35)38)33-19-13-15-34(16-14-19)28(36)21-7-1-2-8-22(21)31(39)40/h1-12,17,19,33H,13-16H2,(H,39,40)