methyl 2,7,7-trimethyl-5-oxidanylidene-4-(phenylmethyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: methyl 2,7,7-trimethyl-5-oxidanylidene-4-(phenylmethyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl 4-benzyl-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-5-oxo-4-(phenylmethyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-benzyl-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-benzyl-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H25NO3/c1-13-18(20(24)25-4)15(10-14-8-6-5-7-9-14)19-16(22-13)11-21(2,3)12-17(19)23/h5-9,15,22H,10-12H2,1-4H3