phenethyl (4S)-4-(3-methoxy-4-propoxy-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: phenethyl (4S)-4-(3-methoxy-4-propoxy-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: phenethyl (4S)-4-(3-methoxy-4-propoxy-phenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S)-4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4S)-4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S)-5-keto-4-(3-methoxy-4-propoxy-phenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester Formula: C29H33NO5 MolecularWeight: 475.57602

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCCC4=CC=CC=C4)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[C@H]2C3=C(CCCC3=O)NC(=C2C(=O)OCCC4=CC=CC=C4)C)OC

InChI

InChI=1S/C29H33NO5/c1-4-16-34-24-14-13-21(18-25(24)33-3)27-26(19(2)30-22-11-8-12-23(31)28(22)27)29(32)35-17-15-20-9-6-5-7-10-20/h5-7,9-10,13-14,18,27,30H,4,8,11-12,15-17H2,1-3H3/t27-/m1/s1