butyl 4-[2-(4a-methyl-1-oxidanyl-7-oxidanylidene-1,2,3,4-tetrahydronaphthalen-2-yl)propanoylamino]benzoate

Systemtic Name: butyl 4-[2-(4a-methyl-1-oxidanyl-7-oxidanylidene-1,2,3,4-tetrahydronaphthalen-2-yl)propanoylamino]benzoate Openeye Name: butyl 4-[2-(1-hydroxy-4a-methyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoylamino]benzoate CAS Name: 4-[[2-(1-hydroxy-4a-methyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-(1-hydroxy-4a-methyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoylamino]benzoate Traditional Name: 4-[2-(1-hydroxy-7-keto-4a-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)propanoylamino]benzoic acid butyl ester Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)C2CCC3(C=CC(=O)C=C3C2O)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)C2CCC3(C=CC(=O)C=C3C2O)C

InChI

InChI=1S/C25H31NO5/c1-4-5-14-31-24(30)17-6-8-18(9-7-17)26-23(29)16(2)20-11-13-25(3)12-10-19(27)15-21(25)22(20)28/h6-10,12,15-16,20,22,28H,4-5,11,13-14H2,1-3H3,(H,26,29)