2-[6-oxidanylidene-5-[2-oxidanylidene-2-[4-[2-(pyridin-2-ylamino)ethyl]piperidin-1-yl]ethyl]-11H-benzo[c][1]benzazepin-11-yl]ethanoic acid

Systemtic Name: 2-[6-oxidanylidene-5-[2-oxidanylidene-2-[4-[2-(pyridin-2-ylamino)ethyl]piperidin-1-yl]ethyl]-11H-benzo[c][1]benzazepin-11-yl]ethanoic acid Openeye Name: 2-[6-oxo-5-[2-oxo-2-[4-[2-(2-pyridylamino)ethyl]-1-piperidyl]ethyl]-11H-benzo[c][1]benzazepin-11-yl]acetic acid CAS Name: 2-[6-oxo-5-[2-oxo-2-[4-[2-(2-pyridinylamino)ethyl]-1-piperidinyl]ethyl]-11H-benzo[c][1]benzazepin-11-yl]acetic acid IUPAC Name: 2-[6-oxo-5-[2-oxo-2-[4-[2-(pyridin-2-ylamino)ethyl]piperidin-1-yl]ethyl]-11H-benzo[c][1]benzazepin-11-yl]acetic acid Traditional Name: 2-[6-keto-5-[2-keto-2-[4-[2-(2-pyridylamino)ethyl]piperidino]ethyl]-11H-benzo[c][1]benzazepin-11-yl]acetic acid Formula: C30H32N4O4 MolecularWeight: 512.59948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCNC2=CC=CC=N2)C(=O)CN3C4=CC=CC=C4C(C5=CC=CC=C5C3=O)CC(=O)O

Isomeric SMILES

C1CN(CCC1CCNC2=CC=CC=N2)C(=O)CN3C4=CC=CC=C4C(C5=CC=CC=C5C3=O)CC(=O)O

InChI

InChI=1S/C30H32N4O4/c35-28(33-17-13-21(14-18-33)12-16-32-27-11-5-6-15-31-27)20-34-26-10-4-3-8-23(26)25(19-29(36)37)22-7-1-2-9-24(22)30(34)38/h1-11,15,21,25H,12-14,16-20H2,(H,31,32)(H,36,37)