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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OC)C2C3=C(C=CC(=C3)Cl)N(C(=O)CO2)CC(C)CCC(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1OC)C2C3=C(C=CC(=C3)Cl)N(C(=O)CO2)CC(C)CCC(=O)O

InChI

InChI=1S/C24H28ClNO6/c1-4-31-20-7-5-6-17(24(20)30-3)23-18-12-16(25)9-10-19(18)26(21(27)14-32-23)13-15(2)8-11-22(28)29/h5-7,9-10,12,15,23H,4,8,11,13-14H2,1-3H3,(H,28,29)