2-[[1-(2-chlorophenyl)cyclopentyl]methyl]-N-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-2-oxidanyl-oct-3-ynamide

Systemtic Name: 2-[[1-(2-chlorophenyl)cyclopentyl]methyl]-N-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-2-oxidanyl-oct-3-ynamide Openeye Name: 2-[[1-(2-chlorophenyl)cyclopentyl]methyl]-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)oct-3-ynamide CAS Name: 2-[[1-(2-chlorophenyl)cyclopentyl]methyl]-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-3-octynamide IUPAC Name: 2-[[1-(2-chlorophenyl)cyclopentyl]methyl]-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)oct-3-ynamide Traditional Name: 2-[[1-(2-chlorophenyl)cyclopentyl]methyl]-2-hydroxy-N-(1-keto-4-methyl-2,3-benzoxazin-6-yl)oct-3-ynamide Formula: C29H31ClN2O4 MolecularWeight: 507.02044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(CC1(CCCC1)C2=CC=CC=C2Cl)(C(=O)NC3=CC4=C(C=C3)C(=O)ON=C4C)O

Isomeric SMILES

CCCCC#CC(CC1(CCCC1)C2=CC=CC=C2Cl)(C(=O)NC3=CC4=C(C=C3)C(=O)ON=C4C)O

InChI

InChI=1S/C29H31ClN2O4/c1-3-4-5-8-17-29(35,19-28(15-9-10-16-28)24-11-6-7-12-25(24)30)27(34)31-21-13-14-22-23(18-21)20(2)32-36-26(22)33/h6-7,11-14,18,35H,3-5,9-10,15-16,19H2,1-2H3,(H,31,34)