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

Systemtic Name: phenethyl (4R)-4-(3-ethoxyphenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: phenethyl (4R)-4-(3-ethoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R)-4-(3-ethoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4R)-4-(3-ethoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R)-5-keto-2-methyl-4-m-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=CC(=C1)C2C3C(=NC(=C2C(=O)OCCC4=CC=CC=C4)C)CCCC3=O

Isomeric SMILES

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

InChI

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