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

Systemtic Name: phenethyl (4R)-4-(4-ethoxyphenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: phenethyl (4R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R)-5-keto-2-methyl-4-p-phenetyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid phenethyl ester Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C3C(=NC(=C2C(=O)OCCC4=CC=CC=C4)C)CCCC3=O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2C3C(=NC(=C2C(=O)OCCC4=CC=CC=C4)C)CCCC3=O

InChI

InChI=1S/C27H29NO4/c1-3-31-21-14-12-20(13-15-21)25-24(18(2)28-22-10-7-11-23(29)26(22)25)27(30)32-17-16-19-8-5-4-6-9-19/h4-6,8-9,12-15,25-26H,3,7,10-11,16-17H2,1-2H3/t25-,26?/m1/s1