phenethyl (4S)-4-[4-(diethylamino)phenyl]-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: phenethyl (4S)-4-[4-(diethylamino)phenyl]-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: phenethyl (4S)-4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S)-4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4S)-4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S)-4-[4-(diethylamino)phenyl]-5-keto-2-methyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid phenethyl ester Formula: C29H34N2O3 MolecularWeight: 458.59186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N2O3/c1-4-31(5-2)23-16-14-22(15-17-23)27-26(20(3)30-24-12-9-13-25(32)28(24)27)29(33)34-19-18-21-10-7-6-8-11-21/h6-8,10-11,14-17,27-28H,4-5,9,12-13,18-19H2,1-3H3/t27-,28?/m0/s1