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

Systemtic Name: phenethyl (4R)-2,7,7-trimethyl-4-(6-methyl-4-oxidanylidene-chromen-3-yl)-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: phenethyl (4R)-2,7,7-trimethyl-4-(6-methyl-4-oxo-chromen-3-yl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-2,7,7-trimethyl-4-(6-methyl-4-oxo-1-benzopyran-3-yl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4R)-2,7,7-trimethyl-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-5-keto-4-(4-keto-6-methyl-chromen-3-yl)-2,7,7-trimethyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester Formula: C31H31NO5 MolecularWeight: 497.58154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)C3C4C(=NC(=C3C(=O)OCCC5=CC=CC=C5)C)CC(CC4=O)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)[C@H]3C4C(=NC(=C3C(=O)OCCC5=CC=CC=C5)C)CC(CC4=O)(C)C

InChI

InChI=1S/C31H31NO5/c1-18-10-11-25-21(14-18)29(34)22(17-37-25)27-26(30(35)36-13-12-20-8-6-5-7-9-20)19(2)32-23-15-31(3,4)16-24(33)28(23)27/h5-11,14,17,27-28H,12-13,15-16H2,1-4H3/t27-,28?/m1/s1