ethyl (4S)-6-azanyl-4-[3-[(4-chloranyl-2-methyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl (4S)-6-azanyl-4-[3-[(4-chloranyl-2-methyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-6-amino-4-[3-[(4-chloro-2-methyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-4-[3-[(4-chloro-2-methylphenoxy)methyl]-2,5-dimethylphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-amino-4-[3-[(4-chloro-2-methylphenoxy)methyl]-2,5-dimethylphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-4-[3-[(4-chloro-2-methyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C26H27ClN2O4 MolecularWeight: 466.95658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC(=CC(=C2C)COC3=C(C=C(C=C3)Cl)C)C)C#N)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C([C@@H]1C2=CC(=CC(=C2C)COC3=C(C=C(C=C3)Cl)C)C)C#N)N)C

InChI

InChI=1S/C26H27ClN2O4/c1-6-31-26(30)23-17(5)33-25(29)21(12-28)24(23)20-10-14(2)9-18(16(20)4)13-32-22-8-7-19(27)11-15(22)3/h7-11,24H,6,13,29H2,1-5H3/t24-/m0/s1