3-[6-oxidanylidene-5-[2-oxidanylidene-2-[2-(pyridin-2-ylamino)ethylamino]ethyl]-11H-benzo[c][1]benzazepin-11-yl]propanoic acid

Systemtic Name: 3-[6-oxidanylidene-5-[2-oxidanylidene-2-[2-(pyridin-2-ylamino)ethylamino]ethyl]-11H-benzo[c][1]benzazepin-11-yl]propanoic acid Openeye Name: 3-[6-oxo-5-[2-oxo-2-[2-(2-pyridylamino)ethylamino]ethyl]-11H-benzo[c][1]benzazepin-11-yl]propanoic acid CAS Name: 3-[6-oxo-5-[2-oxo-2-[2-(2-pyridinylamino)ethylamino]ethyl]-11H-benzo[c][1]benzazepin-11-yl]propanoic acid IUPAC Name: 3-[6-oxo-5-[2-oxo-2-[2-(pyridin-2-ylamino)ethylamino]ethyl]-11H-benzo[c][1]benzazepin-11-yl]propanoic acid Traditional Name: 3-[6-keto-5-[2-keto-2-[2-(2-pyridylamino)ethylamino]ethyl]-11H-benzo[c][1]benzazepin-11-yl]propionic acid Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3N(C2=O)CC(=O)NCCNC4=CC=CC=N4)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3N(C2=O)CC(=O)NCCNC4=CC=CC=N4)CCC(=O)O

InChI

InChI=1S/C26H26N4O4/c31-24(29-16-15-28-23-11-5-6-14-27-23)17-30-22-10-4-3-8-20(22)19(12-13-25(32)33)18-7-1-2-9-21(18)26(30)34/h1-11,14,19H,12-13,15-17H2,(H,27,28)(H,29,31)(H,32,33)