pentyl (4S,4aS)-2-methyl-4-(4-methylphenyl)-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: pentyl (4S,4aS)-2-methyl-4-(4-methylphenyl)-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: pentyl (4S,4aS)-2-methyl-5-oxo-4-(p-tolyl)-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,4aS)-2-methyl-4-(4-methylphenyl)-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl (4S,4aS)-2-methyl-4-(4-methylphenyl)-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,4aS)-5-keto-2-methyl-4-(p-tolyl)-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid amyl ester Formula: C23H29NO3 MolecularWeight: 367.48126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1C(C2C(=O)CCC=C2N=C1C)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCOC(=O)C1[C@H]([C@@H]2C(=O)CCC=C2N=C1C)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H29NO3/c1-4-5-6-14-27-23(26)20-16(3)24-18-8-7-9-19(25)22(18)21(20)17-12-10-15(2)11-13-17/h8,10-13,20-22H,4-7,9,14H2,1-3H3/t20?,21-,22+/m1/s1