(phenylmethyl) 2,7,7-trimethyl-5-oxidanylidene-4-(2-propan-2-yloxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: (phenylmethyl) 2,7,7-trimethyl-5-oxidanylidene-4-(2-propan-2-yloxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: benzyl 4-(2-isopropoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-5-oxo-4-(2-propan-2-yloxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2,7,7-trimethyl-5-oxo-4-(2-propan-2-yloxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(2-isopropoxyphenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid benzyl ester Formula: C29H33NO4 MolecularWeight: 459.57662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3OC(C)C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3OC(C)C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H33NO4/c1-18(2)34-24-14-10-9-13-21(24)26-25(28(32)33-17-20-11-7-6-8-12-20)19(3)30-22-15-29(4,5)16-23(31)27(22)26/h6-14,18,26,30H,15-17H2,1-5H3