2-[11-[2-[[4-(1H-benzimidazol-2-ylamino)phenyl]methylamino]-2-oxidanylidene-ethyl]-6-oxidanylidene-11H-benzo[c][1]benzazepin-5-yl]-3,3-dimethyl-butanoic acid

Systemtic Name: 2-[11-[2-[[4-(1H-benzimidazol-2-ylamino)phenyl]methylamino]-2-oxidanylidene-ethyl]-6-oxidanylidene-11H-benzo[c][1]benzazepin-5-yl]-3,3-dimethyl-butanoic acid Openeye Name: 2-[11-[2-[[4-(1H-benzimidazol-2-ylamino)phenyl]methylamino]-2-oxo-ethyl]-6-oxo-11H-benzo[c][1]benzazepin-5-yl]-3,3-dimethyl-butanoic acid CAS Name: 2-[11-[2-[[4-(1H-benzimidazol-2-ylamino)phenyl]methylamino]-2-oxoethyl]-6-oxo-11H-benzo[c][1]benzazepin-5-yl]-3,3-dimethylbutanoic acid IUPAC Name: 2-[11-[2-[[4-(1H-benzimidazol-2-ylamino)phenyl]methylamino]-2-oxoethyl]-6-oxo-11H-benzo[c][1]benzazepin-5-yl]-3,3-dimethylbutanoic acid Traditional Name: 2-[11-[2-[[4-(1H-benzimidazol-2-ylamino)benzyl]amino]-2-keto-ethyl]-6-keto-11H-benzo[c][1]benzazepin-5-yl]-3,3-dimethyl-butyric acid Formula: C36H35N5O4 MolecularWeight: 601.6942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)O)N1C2=CC=CC=C2C(C3=CC=CC=C3C1=O)CC(=O)NCC4=CC=C(C=C4)NC5=NC6=CC=CC=C6N5

Isomeric SMILES

CC(C)(C)C(C(=O)O)N1C2=CC=CC=C2C(C3=CC=CC=C3C1=O)CC(=O)NCC4=CC=C(C=C4)NC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C36H35N5O4/c1-36(2,3)32(34(44)45)41-30-15-9-6-11-25(30)27(24-10-4-5-12-26(24)33(41)43)20-31(42)37-21-22-16-18-23(19-17-22)38-35-39-28-13-7-8-14-29(28)40-35/h4-19,27,32H,20-21H2,1-3H3,(H,37,42)(H,44,45)(H2,38,39,40)