dimethyl (4aS)-8-methyl-2-oxidanylidene-1-[(1S)-1-phenylethyl]-3,4,4a,7-tetrahydroquinoline-5,6-dicarboxylate

Systemtic Name: dimethyl (4aS)-8-methyl-2-oxidanylidene-1-[(1S)-1-phenylethyl]-3,4,4a,7-tetrahydroquinoline-5,6-dicarboxylate Openeye Name: dimethyl (4aS)-8-methyl-2-oxo-1-[(1S)-1-phenylethyl]-3,4,4a,7-tetrahydroquinoline-5,6-dicarboxylate CAS Name: (4aS)-8-methyl-2-oxo-1-[(1S)-1-phenylethyl]-3,4,4a,7-tetrahydroquinoline-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4aS)-8-methyl-2-oxo-1-[(1S)-1-phenylethyl]-3,4,4a,7-tetrahydroquinoline-5,6-dicarboxylate Traditional Name: (4aS)-2-keto-8-methyl-1-[(1S)-1-phenylethyl]-3,4,4a,7-tetrahydroquinoline-5,6-dicarboxylic acid dimethyl ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(CCC(=O)N2C(C)C3=CC=CC=C3)C(=C(C1)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=C2[C@@H](CCC(=O)N2[C@@H](C)C3=CC=CC=C3)C(=C(C1)C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H25NO5/c1-13-12-17(21(25)27-3)19(22(26)28-4)16-10-11-18(24)23(20(13)16)14(2)15-8-6-5-7-9-15/h5-9,14,16H,10-12H2,1-4H3/t14-,16-/m0/s1