methyl 4-[(4R)-3-cyano-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinolin-4-yl]benzoate

Systemtic Name: methyl 4-[(4R)-3-cyano-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinolin-4-yl]benzoate Openeye Name: methyl 4-[(4R)-3-cyano-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinolin-4-yl]benzoate CAS Name: 4-[(4R)-3-cyano-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinolin-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4R)-3-cyano-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinolin-4-yl]benzoate Traditional Name: 4-[(4R)-3-cyano-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinolin-4-yl]benzoic acid methyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C#N)C3=CC=C(C=C3)C(=O)OC)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@H](C1C#N)C3=CC=C(C=C3)C(=O)OC)C(=O)CC(C2)(C)C

InChI

InChI=1S/C21H22N2O3/c1-12-15(11-22)18(13-5-7-14(8-6-13)20(25)26-4)19-16(23-12)9-21(2,3)10-17(19)24/h5-8,15,18H,9-10H2,1-4H3/t15?,18-/m0/s1