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

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 4-(2-bromanyl-4-tert-butyl-phenoxy)butanoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]phenyl] 4-(2-bromo-4-tert-butyl-phenoxy)butanoate CAS Name: 4-(2-bromo-4-tert-butylphenoxy)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-tert-butylphenoxy)butanoate Traditional Name: 4-(2-bromo-4-tert-butyl-phenoxy)butyric acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]phenyl] ester Formula: C29H29BrN2O5 MolecularWeight: 565.45496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29BrN2O5/c1-29(2,3)22-10-13-26(25(30)17-22)36-15-5-7-27(33)37-23-11-8-20(9-12-23)16-21(18-31)28(34)32-19-24-6-4-14-35-24/h4,6,8-14,16-17H,5,7,15,19H2,1-3H3,(H,32,34)/b21-16+