methyl 4-[1-[4-[cyano(phenyl)methylidene]piperidin-1-yl]-1-oxidanylidene-propan-2-yl]oxy-3-methoxy-benzoate

Systemtic Name: methyl 4-[1-[4-[cyano(phenyl)methylidene]piperidin-1-yl]-1-oxidanylidene-propan-2-yl]oxy-3-methoxy-benzoate Openeye Name: methyl 4-[2-[4-[cyano(phenyl)methylene]-1-piperidyl]-1-methyl-2-oxo-ethoxy]-3-methoxy-benzoate CAS Name: 4-[1-[4-[cyano(phenyl)methylidene]-1-piperidinyl]-1-oxopropan-2-yl]oxy-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[1-[4-[cyano(phenyl)methylidene]piperidin-1-yl]-1-oxopropan-2-yl]oxy-3-methoxybenzoate Traditional Name: 4-[2-[4-[cyano(phenyl)methylene]piperidino]-2-keto-1-methyl-ethoxy]-3-methoxy-benzoic acid methyl ester Formula: C25H26N2O5 MolecularWeight: 434.48434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(=C(C#N)C2=CC=CC=C2)CC1)OC3=C(C=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CC(C(=O)N1CCC(=C(C#N)C2=CC=CC=C2)CC1)OC3=C(C=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C25H26N2O5/c1-17(32-22-10-9-20(25(29)31-3)15-23(22)30-2)24(28)27-13-11-19(12-14-27)21(16-26)18-7-5-4-6-8-18/h4-10,15,17H,11-14H2,1-3H3