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

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] 4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(propylamino)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-oxo-3-(propylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(propylamino)prop-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-keto-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C27H31BrN2O5 MolecularWeight: 543.44944

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(=CC1=CC(=C(C=C1)OC(=O)CCCOC2=C(C=C(C=C2)C(C)C)Br)OC)C#N

Isomeric SMILES

CCCNC(=O)/C(=C/C1=CC(=C(C=C1)OC(=O)CCCOC2=C(C=C(C=C2)C(C)C)Br)OC)/C#N

InChI

InChI=1S/C27H31BrN2O5/c1-5-12-30-27(32)21(17-29)14-19-8-10-24(25(15-19)33-4)35-26(31)7-6-13-34-23-11-9-20(18(2)3)16-22(23)28/h8-11,14-16,18H,5-7,12-13H2,1-4H3,(H,30,32)/b21-14+