2-[5-[2-[[6-(1H-benzimidazol-2-yl)pyridin-3-yl]methylamino]-2-oxidanylidene-ethyl]-6-oxidanylidene-11H-benzo[c][1]benzazepin-11-yl]ethanoic acid

Systemtic Name: 2-[5-[2-[[6-(1H-benzimidazol-2-yl)pyridin-3-yl]methylamino]-2-oxidanylidene-ethyl]-6-oxidanylidene-11H-benzo[c][1]benzazepin-11-yl]ethanoic acid Openeye Name: 2-[5-[2-[[6-(1H-benzimidazol-2-yl)-3-pyridyl]methylamino]-2-oxo-ethyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]acetic acid CAS Name: 2-[5-[2-[[6-(1H-benzimidazol-2-yl)-3-pyridinyl]methylamino]-2-oxoethyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]acetic acid IUPAC Name: 2-[5-[2-[[6-(1H-benzimidazol-2-yl)pyridin-3-yl]methylamino]-2-oxoethyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]acetic acid Traditional Name: 2-[5-[2-[[6-(1H-benzimidazol-2-yl)-3-pyridyl]methylamino]-2-keto-ethyl]-6-keto-11H-benzo[c][1]benzazepin-11-yl]acetic acid Formula: C31H25N5O4 MolecularWeight: 531.5613

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3N(C2=O)CC(=O)NCC4=CN=C(C=C4)C5=NC6=CC=CC=C6N5)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3N(C2=O)CC(=O)NCC4=CN=C(C=C4)C5=NC6=CC=CC=C6N5)CC(=O)O

InChI

InChI=1S/C31H25N5O4/c37-28(33-17-19-13-14-26(32-16-19)30-34-24-10-4-5-11-25(24)35-30)18-36-27-12-6-3-8-21(27)23(15-29(38)39)20-7-1-2-9-22(20)31(36)40/h1-14,16,23H,15,17-18H2,(H,33,37)(H,34,35)(H,38,39)