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

Systemtic Name: phenethyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-(2-propan-2-yloxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: phenethyl (4S)-4-(2-isopropoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-5-oxo-4-(2-propan-2-yloxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4S)-2,7,7-trimethyl-5-oxo-4-(2-propan-2-yloxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(2-isopropoxyphenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester Formula: C30H35NO4 MolecularWeight: 473.6032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCC3=CC=CC=C3)C4=CC=CC=C4OC(C)C)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCCC3=CC=CC=C3)C4=CC=CC=C4OC(C)C)C(=O)CC(C2)(C)C

InChI

InChI=1S/C30H35NO4/c1-19(2)35-25-14-10-9-13-22(25)27-26(29(33)34-16-15-21-11-7-6-8-12-21)20(3)31-23-17-30(4,5)18-24(32)28(23)27/h6-14,19,26-27H,15-18H2,1-5H3/t26?,27-/m1/s1