6-methyl-4-oxidanylidene-8-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]chromene-2-carboxylic acid

Systemtic Name: 6-methyl-4-oxidanylidene-8-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]chromene-2-carboxylic acid Openeye Name: 6-methyl-4-oxo-8-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]chromene-2-carboxylic acid CAS Name: 6-methyl-4-oxo-8-[[(E)-1-oxo-3-(4-pentylphenyl)prop-2-enyl]amino]-1-benzopyran-2-carboxylic acid IUPAC Name: 6-methyl-4-oxo-8-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]chromene-2-carboxylic acid Traditional Name: 8-[[(E)-3-(4-amylphenyl)acryloyl]amino]-4-keto-6-methyl-chromene-2-carboxylic acid Formula: C25H25NO5 MolecularWeight: 419.4697

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C=CC(=O)NC2=C3C(=CC(=C2)C)C(=O)C=C(O3)C(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)/C=C/C(=O)NC2=C3C(=CC(=C2)C)C(=O)C=C(O3)C(=O)O

InChI

InChI=1S/C25H25NO5/c1-3-4-5-6-17-7-9-18(10-8-17)11-12-23(28)26-20-14-16(2)13-19-21(27)15-22(25(29)30)31-24(19)20/h7-15H,3-6H2,1-2H3,(H,26,28)(H,29,30)/b12-11+