4-[7-(2-morpholin-4-ylethanoylamino)-4-oxidanylidene-3-propyl-chromen-2-yl]benzoic acid

Systemtic Name: 4-[7-(2-morpholin-4-ylethanoylamino)-4-oxidanylidene-3-propyl-chromen-2-yl]benzoic acid Openeye Name: 4-[7-[(2-morpholinoacetyl)amino]-4-oxo-3-propyl-chromen-2-yl]benzoic acid CAS Name: 4-[7-[[2-(4-morpholinyl)-1-oxoethyl]amino]-4-oxo-3-propyl-1-benzopyran-2-yl]benzoic acid IUPAC Name: 4-[7-[(2-morpholin-4-ylacetyl)amino]-4-oxo-3-propylchromen-2-yl]benzoic acid Traditional Name: 4-[4-keto-7-[(2-morpholinoacetyl)amino]-3-propyl-chromen-2-yl]benzoic acid Formula: C25H26N2O6 MolecularWeight: 450.48374

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(OC2=C(C1=O)C=CC(=C2)NC(=O)CN3CCOCC3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCCC1=C(OC2=C(C1=O)C=CC(=C2)NC(=O)CN3CCOCC3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H26N2O6/c1-2-3-20-23(29)19-9-8-18(26-22(28)15-27-10-12-32-13-11-27)14-21(19)33-24(20)16-4-6-17(7-5-16)25(30)31/h4-9,14H,2-3,10-13,15H2,1H3,(H,26,28)(H,30,31)