phenethyl 4-(6-chloranyl-4-oxidanylidene-chromen-3-yl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: phenethyl 4-(6-chloranyl-4-oxidanylidene-chromen-3-yl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: phenethyl 4-(6-chloro-4-oxo-chromen-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 4-(6-chloro-4-oxo-1-benzopyran-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(6-chloro-4-oxochromen-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(6-chloro-4-keto-chromen-3-yl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester Formula: C30H28ClNO5 MolecularWeight: 518.00002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=COC4=C(C3=O)C=C(C=C4)Cl)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=COC4=C(C3=O)C=C(C=C4)Cl)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C30H28ClNO5/c1-17-25(29(35)36-12-11-18-7-5-4-6-8-18)26(27-22(32-17)14-30(2,3)15-23(27)33)21-16-37-24-10-9-19(31)13-20(24)28(21)34/h4-10,13,16,26,32H,11-12,14-15H2,1-3H3