pentyl (4S,4aR)-2-methyl-5-oxidanylidene-4-(2-propan-2-yloxyphenyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: pentyl (4S,4aR)-2-methyl-5-oxidanylidene-4-(2-propan-2-yloxyphenyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: pentyl (4S,4aR)-4-(2-isopropoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S,4aR)-2-methyl-5-oxo-4-(2-propan-2-yloxyphenyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl (4S,4aR)-2-methyl-5-oxo-4-(2-propan-2-yloxyphenyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S,4aR)-4-(2-isopropoxyphenyl)-5-keto-2-methyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid amyl ester Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(N=C2CCCC(=O)C2C1C3=CC=CC=C3OC(C)C)C

Isomeric SMILES

CCCCCOC(=O)C1=C(N=C2CCCC(=O)[C@@H]2[C@H]1C3=CC=CC=C3OC(C)C)C

InChI

InChI=1S/C25H33NO4/c1-5-6-9-15-29-25(28)22-17(4)26-19-12-10-13-20(27)24(19)23(22)18-11-7-8-14-21(18)30-16(2)3/h7-8,11,14,16,23-24H,5-6,9-10,12-13,15H2,1-4H3/t23-,24+/m0/s1