2-[5-[(E)-4-(diethylamino)-4-oxidanylidene-but-2-en-2-yl]-2-phenethyl-phenoxy]ethanoic acid

Systemtic Name: 2-[5-[(E)-4-(diethylamino)-4-oxidanylidene-but-2-en-2-yl]-2-phenethyl-phenoxy]ethanoic acid Openeye Name: 2-[5-[(E)-3-(diethylamino)-1-methyl-3-oxo-prop-1-enyl]-2-phenethyl-phenoxy]acetic acid CAS Name: 2-[5-[(E)-4-(diethylamino)-4-oxobut-2-en-2-yl]-2-phenethylphenoxy]acetic acid IUPAC Name: 2-[5-[(E)-4-(diethylamino)-4-oxobut-2-en-2-yl]-2-phenethylphenoxy]acetic acid Traditional Name: 2-[5-[(E)-3-(diethylamino)-3-keto-1-methyl-prop-1-enyl]-2-phenethyl-phenoxy]acetic acid Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C=C(C)C1=CC(=C(C=C1)CCC2=CC=CC=C2)OCC(=O)O

Isomeric SMILES

CCN(CC)C(=O)/C=C(\C)/C1=CC(=C(C=C1)CCC2=CC=CC=C2)OCC(=O)O

InChI

InChI=1S/C24H29NO4/c1-4-25(5-2)23(26)15-18(3)21-14-13-20(22(16-21)29-17-24(27)28)12-11-19-9-7-6-8-10-19/h6-10,13-16H,4-5,11-12,17H2,1-3H3,(H,27,28)/b18-15+