7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-1-ethyl-4-oxidanylidene-6-propyl-quinoline-2-carboxylic acid

Systemtic Name: 7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-1-ethyl-4-oxidanylidene-6-propyl-quinoline-2-carboxylic acid Openeye Name: 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-1-ethyl-4-oxo-6-propyl-quinoline-2-carboxylic acid CAS Name: 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-1-ethyl-4-oxo-6-propyl-2-quinolinecarboxylic acid IUPAC Name: 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-1-ethyl-4-oxo-6-propylquinoline-2-carboxylic acid Traditional Name: 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-1-ethyl-4-keto-6-propyl-quinaldic acid Formula: C29H35NO7 MolecularWeight: 509.5907

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C=C(N2CC)C(=O)O)OCCCOC3=C(C(=C(C=C3)C(=O)C)O)CCC

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C=C(N2CC)C(=O)O)OCCCOC3=C(C(=C(C=C3)C(=O)C)O)CCC

InChI

InChI=1S/C29H35NO7/c1-5-9-19-15-22-23(30(7-3)24(29(34)35)16-25(22)32)17-27(19)37-14-8-13-36-26-12-11-20(18(4)31)28(33)21(26)10-6-2/h11-12,15-17,33H,5-10,13-14H2,1-4H3,(H,34,35)