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

Systemtic Name: 2-phenoxyethyl (4S)-4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-phenoxyethyl (4S)-4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (4S)-4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-4-(3-methoxyphenyl)-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-phenoxyethyl ester Formula: C28H31NO5 MolecularWeight: 461.54944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCOC3=CC=CC=C3)C4=CC(=CC=C4)OC)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCCOC3=CC=CC=C3)C4=CC(=CC=C4)OC)C(=O)CC(C2)(C)C

InChI

InChI=1S/C28H31NO5/c1-18-24(27(31)34-14-13-33-20-10-6-5-7-11-20)25(19-9-8-12-21(15-19)32-4)26-22(29-18)16-28(2,3)17-23(26)30/h5-12,15,24-25H,13-14,16-17H2,1-4H3/t24?,25-/m1/s1