8-[[(E)-3-(4-oct-2-ynoxyphenyl)prop-2-enoyl]amino]-4-oxidanylidene-chromene-2-carboxylic acid

Systemtic Name: 8-[[(E)-3-(4-oct-2-ynoxyphenyl)prop-2-enoyl]amino]-4-oxidanylidene-chromene-2-carboxylic acid Openeye Name: 8-[[(E)-3-(4-oct-2-ynoxyphenyl)prop-2-enoyl]amino]-4-oxo-chromene-2-carboxylic acid CAS Name: 8-[[(E)-3-(4-oct-2-ynoxyphenyl)-1-oxoprop-2-enyl]amino]-4-oxo-1-benzopyran-2-carboxylic acid IUPAC Name: 8-[[(E)-3-(4-oct-2-ynoxyphenyl)prop-2-enoyl]amino]-4-oxochromene-2-carboxylic acid Traditional Name: 4-keto-8-[[(E)-3-(4-oct-2-ynoxyphenyl)acryloyl]amino]chromene-2-carboxylic acid Formula: C27H25NO6 MolecularWeight: 459.4905

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCOC1=CC=C(C=C1)C=CC(=O)NC2=CC=CC3=C2OC(=CC3=O)C(=O)O

Isomeric SMILES

CCCCCC#CCOC1=CC=C(C=C1)/C=C/C(=O)NC2=CC=CC3=C2OC(=CC3=O)C(=O)O

InChI

InChI=1S/C27H25NO6/c1-2-3-4-5-6-7-17-33-20-14-11-19(12-15-20)13-16-25(30)28-22-10-8-9-21-23(29)18-24(27(31)32)34-26(21)22/h8-16,18H,2-5,17H2,1H3,(H,28,30)(H,31,32)/b16-13+