phenethyl (4R)-2,7,7-trimethyl-5-oxidanylidene-4-(2-propoxyphenyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: phenethyl (4R)-2,7,7-trimethyl-5-oxidanylidene-4-(2-propoxyphenyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: phenethyl (4R)-2,7,7-trimethyl-5-oxo-4-(2-propoxyphenyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-2,7,7-trimethyl-5-oxo-4-(2-propoxyphenyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4R)-2,7,7-trimethyl-5-oxo-4-(2-propoxyphenyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-5-keto-2,7,7-trimethyl-4-(2-propoxyphenyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester Formula: C30H35NO4 MolecularWeight: 473.6032

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2C3C(=NC(=C2C(=O)OCCC4=CC=CC=C4)C)CC(CC3=O)(C)C

Isomeric SMILES

CCCOC1=CC=CC=C1[C@H]2C3C(=NC(=C2C(=O)OCCC4=CC=CC=C4)C)CC(CC3=O)(C)C

InChI

InChI=1S/C30H35NO4/c1-5-16-34-25-14-10-9-13-22(25)27-26(29(33)35-17-15-21-11-7-6-8-12-21)20(2)31-23-18-30(3,4)19-24(32)28(23)27/h6-14,27-28H,5,15-19H2,1-4H3/t27-,28?/m1/s1