2-[7-chloranyl-5-(4-ethoxy-2-methoxy-phenyl)-1-(2-methylpropyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoic acid

Systemtic Name: 2-[7-chloranyl-5-(4-ethoxy-2-methoxy-phenyl)-1-(2-methylpropyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoic acid Openeye Name: 2-[7-chloro-5-(4-ethoxy-2-methoxy-phenyl)-1-isobutyl-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid CAS Name: 2-[7-chloro-5-(4-ethoxy-2-methoxyphenyl)-1-(2-methylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid IUPAC Name: 2-[7-chloro-5-(4-ethoxy-2-methoxyphenyl)-1-(2-methylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid Traditional Name: 2-[7-chloro-5-(4-ethoxy-2-methoxy-phenyl)-1-isobutyl-2-keto-5H-4,1-benzoxazepin-3-yl]acetic acid Formula: C24H28ClNO6 MolecularWeight: 461.93522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C2C3=C(C=CC(=C3)Cl)N(C(=O)C(O2)CC(=O)O)CC(C)C)OC

Isomeric SMILES

CCOC1=CC(=C(C=C1)C2C3=C(C=CC(=C3)Cl)N(C(=O)C(O2)CC(=O)O)CC(C)C)OC

InChI

InChI=1S/C24H28ClNO6/c1-5-31-16-7-8-17(20(11-16)30-4)23-18-10-15(25)6-9-19(18)26(13-14(2)3)24(29)21(32-23)12-22(27)28/h6-11,14,21,23H,5,12-13H2,1-4H3,(H,27,28)