[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 4-(2-bromanyl-4-ethyl-phenoxy)butanoate

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 4-(2-bromanyl-4-ethyl-phenoxy)butanoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]phenyl] 4-(2-bromo-4-ethyl-phenoxy)butanoate CAS Name: 4-(2-bromo-4-ethylphenoxy)butanoic acid [4-[(E)-2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]phenyl] 4-(2-bromo-4-ethylphenoxy)butanoate Traditional Name: 4-(2-bromo-4-ethyl-phenoxy)butyric acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]phenyl] ester Formula: C27H25BrN2O5 MolecularWeight: 537.4018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCCC(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NCC3=CC=CO3)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCCC(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NCC3=CC=CO3)Br

InChI

InChI=1S/C27H25BrN2O5/c1-2-19-9-12-25(24(28)16-19)34-14-4-6-26(31)35-22-10-7-20(8-11-22)15-21(17-29)27(32)30-18-23-5-3-13-33-23/h3,5,7-13,15-16H,2,4,6,14,18H2,1H3,(H,30,32)/b21-15+