2-[[3-oxidanylidene-4-[1-(phenylmethyl)piperidin-4-yl]-2-propan-2-yl-5H-1,4-benzoxazepin-5-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[3-oxidanylidene-4-[1-(phenylmethyl)piperidin-4-yl]-2-propan-2-yl-5H-1,4-benzoxazepin-5-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-(1-benzyl-4-piperidyl)-2-isopropyl-3-oxo-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid CAS Name: 2-[[oxo-[3-oxo-4-[1-(phenylmethyl)-4-piperidinyl]-2-propan-2-yl-5H-1,4-benzoxazepin-5-yl]methyl]amino]acetic acid IUPAC Name: 2-[[4-(1-benzylpiperidin-4-yl)-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid Traditional Name: 2-[[4-(1-benzyl-4-piperidyl)-2-isopropyl-3-keto-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=CC=CC=C2O1)C(=O)NCC(=O)O)C3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=CC=CC=C2O1)C(=O)NCC(=O)O)C3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O5/c1-18(2)25-27(34)30(20-12-14-29(15-13-20)17-19-8-4-3-5-9-19)24(26(33)28-16-23(31)32)21-10-6-7-11-22(21)35-25/h3-11,18,20,24-25H,12-17H2,1-2H3,(H,28,33)(H,31,32)