2-(7-chloranyl-3-ethoxy-4-methyl-11-oxidanylidene-6H-benzo[c][1]benzoxepin-2-yl)propanoic acid

Systemtic Name: 2-(7-chloranyl-3-ethoxy-4-methyl-11-oxidanylidene-6H-benzo[c][1]benzoxepin-2-yl)propanoic acid Openeye Name: 2-(7-chloro-3-ethoxy-4-methyl-11-oxo-6H-benzo[c][1]benzoxepin-2-yl)propanoic acid CAS Name: 2-(7-chloro-3-ethoxy-4-methyl-11-oxo-6H-benzo[c][1]benzoxepin-2-yl)propanoic acid IUPAC Name: 2-(7-chloro-3-ethoxy-4-methyl-11-oxo-6H-benzo[c][1]benzoxepin-2-yl)propanoic acid Traditional Name: 2-(7-chloro-3-ethoxy-11-keto-4-methyl-6H-benzo[c][1]benzoxepin-2-yl)propionic acid Formula: C20H19ClO5 MolecularWeight: 374.81486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1C)OCC3=C(C2=O)C=CC=C3Cl)C(C)C(=O)O

Isomeric SMILES

CCOC1=C(C=C2C(=C1C)OCC3=C(C2=O)C=CC=C3Cl)C(C)C(=O)O

InChI

InChI=1S/C20H19ClO5/c1-4-25-18-11(3)19-14(8-13(18)10(2)20(23)24)17(22)12-6-5-7-16(21)15(12)9-26-19/h5-8,10H,4,9H2,1-3H3,(H,23,24)