ethyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-(2-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-(2-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl (4S)-4-(2-benzyloxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-5-oxo-4-(2-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2,7,7-trimethyl-5-oxo-4-(2-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(2-benzoxyphenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1[C@H](C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC=CC=C3OCC4=CC=CC=C4

InChI

InChI=1S/C28H31NO4/c1-5-32-27(31)24-18(2)29-21-15-28(3,4)16-22(30)26(21)25(24)20-13-9-10-14-23(20)33-17-19-11-7-6-8-12-19/h6-14,24-25H,5,15-17H2,1-4H3/t24?,25-/m1/s1