[4-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] 4-(4-propan-2-ylphenoxy)butanoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] 4-(4-propan-2-ylphenoxy)butanoate Openeye Name: [4-[(E)-2-cyano-3-(isopropylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-(4-isopropylphenoxy)butanoate CAS Name: 4-(4-propan-2-ylphenoxy)butanoic acid [4-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-methoxyphenyl] 4-(4-propan-2-ylphenoxy)butanoate Traditional Name: 4-(4-isopropylphenoxy)butyric acid [4-[(E)-2-cyano-3-(isopropylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C27H32N2O5 MolecularWeight: 464.55338

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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)NC(C)C)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCCCC(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NC(C)C)OC

InChI

InChI=1S/C27H32N2O5/c1-18(2)21-9-11-23(12-10-21)33-14-6-7-26(30)34-24-13-8-20(16-25(24)32-5)15-22(17-28)27(31)29-19(3)4/h8-13,15-16,18-19H,6-7,14H2,1-5H3,(H,29,31)/b22-15+