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

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-(2-bromo-4-isopropyl-phenoxy)butanoate CAS Name: 4-(2-bromo-4-propan-2-ylphenoxy)butanoic acid [4-[(E)-2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-(2-bromo-4-propan-2-ylphenoxy)butanoate Traditional Name: 4-(2-bromo-4-isopropyl-phenoxy)butyric acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C29H29BrN2O6 MolecularWeight: 581.45436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29BrN2O6/c1-19(2)21-9-11-25(24(30)16-21)37-13-5-7-28(33)38-26-10-8-20(15-27(26)35-3)14-22(17-31)29(34)32-18-23-6-4-12-36-23/h4,6,8-12,14-16,19H,5,7,13,18H2,1-3H3,(H,32,34)/b22-14+