2-[5-[2-[[4-(6-chloranyl-1H-benzimidazol-2-yl)phenyl]methylamino]-2-oxidanylidene-ethyl]-6-oxidanylidene-11H-benzo[c][1]benzazepin-11-yl]ethanoic acid

Systemtic Name: 2-[5-[2-[[4-(6-chloranyl-1H-benzimidazol-2-yl)phenyl]methylamino]-2-oxidanylidene-ethyl]-6-oxidanylidene-11H-benzo[c][1]benzazepin-11-yl]ethanoic acid Openeye Name: 2-[5-[2-[[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methylamino]-2-oxo-ethyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]acetic acid CAS Name: 2-[5-[2-[[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methylamino]-2-oxoethyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]acetic acid IUPAC Name: 2-[5-[2-[[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methylamino]-2-oxoethyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]acetic acid Traditional Name: 2-[5-[2-[[4-(6-chloro-1H-benzimidazol-2-yl)benzyl]amino]-2-keto-ethyl]-6-keto-11H-benzo[c][1]benzazepin-11-yl]acetic acid Formula: C32H25ClN4O4 MolecularWeight: 565.0183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3N(C2=O)CC(=O)NCC4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)Cl)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3N(C2=O)CC(=O)NCC4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)Cl)CC(=O)O

InChI

InChI=1S/C32H25ClN4O4/c33-21-13-14-26-27(15-21)36-31(35-26)20-11-9-19(10-12-20)17-34-29(38)18-37-28-8-4-3-6-23(28)25(16-30(39)40)22-5-1-2-7-24(22)32(37)41/h1-15,25H,16-18H2,(H,34,38)(H,35,36)(H,39,40)