pentyl (3S,4S)-4-(3-hydroxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: pentyl (3S,4S)-4-(3-hydroxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: pentyl (3S,4S)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (3S,4S)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl (3S,4S)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (3S,4S)-4-(3-hydroxyphenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid amyl ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1C(C2=C(CCCC2=O)N=C1C)C3=CC(=CC=C3)O

Isomeric SMILES

CCCCCOC(=O)[C@H]1[C@H](C2=C(CCCC2=O)N=C1C)C3=CC(=CC=C3)O

InChI

InChI=1S/C22H27NO4/c1-3-4-5-12-27-22(26)19-14(2)23-17-10-7-11-18(25)21(17)20(19)15-8-6-9-16(24)13-15/h6,8-9,13,19-20,24H,3-5,7,10-12H2,1-2H3/t19-,20-/m1/s1