[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-(3-methyl-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-(3-methyl-4-propan-2-yl-phenoxy)butanoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-(4-isopropyl-3-methyl-phenoxy)butanoate CAS Name: 4-(3-methyl-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-(3-methyl-4-propan-2-ylphenoxy)butanoate Traditional Name: 4-(4-isopropyl-3-methyl-phenoxy)butyric acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C30H32N2O6 MolecularWeight: 516.58488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCC3=CC=CO3)OC)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NCC3=CC=CO3)OC)C(C)C

InChI

InChI=1S/C30H32N2O6/c1-20(2)26-11-10-24(15-21(26)3)36-14-6-8-29(33)38-27-12-9-22(17-28(27)35-4)16-23(18-31)30(34)32-19-25-7-5-13-37-25/h5,7,9-13,15-17,20H,6,8,14,19H2,1-4H3,(H,32,34)/b23-16+