3-[[(3R)-5-[2-(3,3-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]carbamoylamino]benzoic acid

Systemtic Name: 3-[[(3R)-5-[2-(3,3-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]carbamoylamino]benzoic acid Openeye Name: 3-[[(3R)-5-[2-(3,3-dimethyl-1-piperidyl)-2-oxo-ethyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]carbamoylamino]benzoic acid CAS Name: 3-[[[[(3R)-5-[2-(3,3-dimethyl-1-piperidinyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[(3R)-5-[2-(3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]carbamoylamino]benzoic acid Traditional Name: 3-[[(3R)-5-[2-(3,3-dimethylpiperidino)-2-keto-ethyl]-4-keto-2,3-dihydro-1,5-benzoxazepin-3-yl]carbamoylamino]benzoic acid Formula: C26H30N4O6 MolecularWeight: 494.5396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN(C1)C(=O)CN2C3=CC=CC=C3OCC(C2=O)NC(=O)NC4=CC=CC(=C4)C(=O)O)C

Isomeric SMILES

CC1(CCCN(C1)C(=O)CN2C3=CC=CC=C3OC[C@H](C2=O)NC(=O)NC4=CC=CC(=C4)C(=O)O)C

InChI

InChI=1S/C26H30N4O6/c1-26(2)11-6-12-29(16-26)22(31)14-30-20-9-3-4-10-21(20)36-15-19(23(30)32)28-25(35)27-18-8-5-7-17(13-18)24(33)34/h3-5,7-10,13,19H,6,11-12,14-16H2,1-2H3,(H,33,34)(H2,27,28,35)/t19-/m1/s1