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

Systemtic Name: phenethyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-(3-phenoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: phenethyl (4S)-2,7,7-trimethyl-5-oxo-4-(3-phenoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-5-oxo-4-(3-phenoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4S)-2,7,7-trimethyl-5-oxo-4-(3-phenoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(3-phenoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester Formula: C33H33NO4 MolecularWeight: 507.61942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCC3=CC=CC=C3)C4=CC(=CC=C4)OC5=CC=CC=C5)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCCC3=CC=CC=C3)C4=CC(=CC=C4)OC5=CC=CC=C5)C(=O)CC(C2)(C)C

InChI

InChI=1S/C33H33NO4/c1-22-29(32(36)37-18-17-23-11-6-4-7-12-23)30(31-27(34-22)20-33(2,3)21-28(31)35)24-13-10-16-26(19-24)38-25-14-8-5-9-15-25/h4-16,19,29-30H,17-18,20-21H2,1-3H3/t29?,30-/m1/s1