3-[[3-(4-butanoyl-2-methoxy-phenyl)-5-methyl-hexanoyl]amino]-4-tert-butyl-benzamide

Systemtic Name: 3-[[3-(4-butanoyl-2-methoxy-phenyl)-5-methyl-hexanoyl]amino]-4-tert-butyl-benzamide Openeye Name: 3-[[3-(4-butanoyl-2-methoxy-phenyl)-5-methyl-hexanoyl]amino]-4-tert-butyl-benzamide CAS Name: 4-tert-butyl-3-[[3-[2-methoxy-4-(1-oxobutyl)phenyl]-5-methyl-1-oxohexyl]amino]benzamide IUPAC Name: 3-[[3-(4-butanoyl-2-methoxyphenyl)-5-methylhexanoyl]amino]-4-tert-butylbenzamide Traditional Name: 4-tert-butyl-3-[[3-(4-butyryl-2-methoxy-phenyl)-5-methyl-hexanoyl]amino]benzamide Formula: C29H40N2O4 MolecularWeight: 480.6389

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC(=C(C=C1)C(CC(C)C)CC(=O)NC2=C(C=CC(=C2)C(=O)N)C(C)(C)C)OC

Isomeric SMILES

CCCC(=O)C1=CC(=C(C=C1)C(CC(C)C)CC(=O)NC2=C(C=CC(=C2)C(=O)N)C(C)(C)C)OC

InChI

InChI=1S/C29H40N2O4/c1-8-9-25(32)19-10-12-22(26(16-19)35-7)21(14-18(2)3)17-27(33)31-24-15-20(28(30)34)11-13-23(24)29(4,5)6/h10-13,15-16,18,21H,8-9,14,17H2,1-7H3,(H2,30,34)(H,31,33)