2-[11-[2-[[4-(1H-benzimidazol-2-ylamino)phenyl]methylamino]-2-oxidanylidene-ethyl]-6-oxidanylidene-11H-benzo[c][1]benzazepin-5-yl]ethanoic 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]ethanoic 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]acetic acid CAS Name: 2-[11-[2-[[4-(1H-benzimidazol-2-ylamino)phenyl]methylamino]-2-oxoethyl]-6-oxo-11H-benzo[c][1]benzazepin-5-yl]acetic acid IUPAC Name: 2-[11-[2-[[4-(1H-benzimidazol-2-ylamino)phenyl]methylamino]-2-oxoethyl]-6-oxo-11H-benzo[c][1]benzazepin-5-yl]acetic 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]acetic acid Formula: C32H27N5O4 MolecularWeight: 545.58788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3N(C2=O)CC(=O)O)CC(=O)NCC4=CC=C(C=C4)NC5=NC6=CC=CC=C6N5

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3N(C2=O)CC(=O)O)CC(=O)NCC4=CC=C(C=C4)NC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C32H27N5O4/c38-29(33-18-20-13-15-21(16-14-20)34-32-35-26-10-4-5-11-27(26)36-32)17-25-22-7-1-2-9-24(22)31(41)37(19-30(39)40)28-12-6-3-8-23(25)28/h1-16,25H,17-19H2,(H,33,38)(H,39,40)(H2,34,35,36)