pentyl 4-(4-ethoxyphenyl)-2,5,5-trimethyl-7-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: pentyl 4-(4-ethoxyphenyl)-2,5,5-trimethyl-7-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: pentyl 4-(4-ethoxyphenyl)-2,5,5-trimethyl-7-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 4-(4-ethoxyphenyl)-2,5,5-trimethyl-7-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl 4-(4-ethoxyphenyl)-2,5,5-trimethyl-7-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 7-keto-2,5,5-trimethyl-4-p-phenetyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid amyl ester Formula: C26H35NO4 MolecularWeight: 425.5604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)OCC)C(CC(=O)C2)(C)C)C

Isomeric SMILES

CCCCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)OCC)C(CC(=O)C2)(C)C)C

InChI

InChI=1S/C26H35NO4/c1-6-8-9-14-31-25(29)22-17(3)27-21-15-19(28)16-26(4,5)24(21)23(22)18-10-12-20(13-11-18)30-7-2/h10-13,23,27H,6-9,14-16H2,1-5H3