phenethyl (4R)-4-(2-butoxyphenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: phenethyl (4R)-4-(2-butoxyphenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: phenethyl (4R)-4-(2-butoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R)-4-(2-butoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4R)-4-(2-butoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R)-4-(2-butoxyphenyl)-5-keto-2-methyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid phenethyl ester Formula: C29H33NO4 MolecularWeight: 459.57662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2C3C(=NC(=C2C(=O)OCCC4=CC=CC=C4)C)CCCC3=O

Isomeric SMILES

CCCCOC1=CC=CC=C1[C@H]2C3C(=NC(=C2C(=O)OCCC4=CC=CC=C4)C)CCCC3=O

InChI

InChI=1S/C29H33NO4/c1-3-4-18-33-25-16-9-8-13-22(25)27-26(20(2)30-23-14-10-15-24(31)28(23)27)29(32)34-19-17-21-11-6-5-7-12-21/h5-9,11-13,16,27-28H,3-4,10,14-15,17-19H2,1-2H3/t27-,28?/m1/s1