[4-[2-[5-(furan-2-ylmethylamino)-5-oxidanylidene-pentanoyl]oxyethanoyl]phenyl] 4-methylbenzoate

Systemtic Name: [4-[2-[5-(furan-2-ylmethylamino)-5-oxidanylidene-pentanoyl]oxyethanoyl]phenyl] 4-methylbenzoate Openeye Name: [4-[2-[5-(2-furylmethylamino)-5-oxo-pentanoyl]oxyacetyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[2-[5-(2-furanylmethylamino)-1,5-dioxopentoxy]-1-oxoethyl]phenyl] ester IUPAC Name: [4-[2-[5-(furan-2-ylmethylamino)-5-oxopentanoyl]oxyacetyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[2-[5-(2-furfurylamino)-5-keto-pentanoyl]oxyacetyl]phenyl] ester Formula: C26H25NO7 MolecularWeight: 463.4792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)CCCC(=O)NCC3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)CCCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C26H25NO7/c1-18-7-9-20(10-8-18)26(31)34-21-13-11-19(12-14-21)23(28)17-33-25(30)6-2-5-24(29)27-16-22-4-3-15-32-22/h3-4,7-15H,2,5-6,16-17H2,1H3,(H,27,29)