2-[[(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: 2-[[(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: 2-[[(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: 2-[[[[(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: 2-[[(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: 2-[[(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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN(C1)C(=O)CN2C3=CC=CC=C3OCC(C2=O)NC(=O)NC4=CC=CC=C4C(=O)O)C

Isomeric SMILES

CC1(CCCN(C1)C(=O)CN2C3=CC=CC=C3OC[C@H](C2=O)NC(=O)NC4=CC=CC=C4C(=O)O)C

InChI

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