4-[4-oxidanylidene-7-(2-piperidin-1-ylethanoylamino)-3-propyl-chromen-2-yl]benzoic acid

Systemtic Name: 4-[4-oxidanylidene-7-(2-piperidin-1-ylethanoylamino)-3-propyl-chromen-2-yl]benzoic acid Openeye Name: 4-[4-oxo-7-[[2-(1-piperidyl)acetyl]amino]-3-propyl-chromen-2-yl]benzoic acid CAS Name: 4-[4-oxo-7-[[1-oxo-2-(1-piperidinyl)ethyl]amino]-3-propyl-1-benzopyran-2-yl]benzoic acid IUPAC Name: 4-[4-oxo-7-[(2-piperidin-1-ylacetyl)amino]-3-propylchromen-2-yl]benzoic acid Traditional Name: 4-[4-keto-7-[(2-piperidinoacetyl)amino]-3-propyl-chromen-2-yl]benzoic acid Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(OC2=C(C1=O)C=CC(=C2)NC(=O)CN3CCCCC3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCCC1=C(OC2=C(C1=O)C=CC(=C2)NC(=O)CN3CCCCC3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H28N2O5/c1-2-6-21-24(30)20-12-11-19(27-23(29)16-28-13-4-3-5-14-28)15-22(20)33-25(21)17-7-9-18(10-8-17)26(31)32/h7-12,15H,2-6,13-14,16H2,1H3,(H,27,29)(H,31,32)