methyl 4-[[6-azanyl-2-(2,2-dimethylpropanoylamino)hexanoyl]amino]-2-(3-hydroxyphenyl)benzoate

Systemtic Name: methyl 4-[[6-azanyl-2-(2,2-dimethylpropanoylamino)hexanoyl]amino]-2-(3-hydroxyphenyl)benzoate Openeye Name: methyl 4-[[6-amino-2-(2,2-dimethylpropanoylamino)hexanoyl]amino]-2-(3-hydroxyphenyl)benzoate CAS Name: 4-[[6-amino-2-[(2,2-dimethyl-1-oxopropyl)amino]-1-oxohexyl]amino]-2-(3-hydroxyphenyl)benzoic acid methyl ester IUPAC Name: methyl 4-[[6-amino-2-(2,2-dimethylpropanoylamino)hexanoyl]amino]-2-(3-hydroxyphenyl)benzoate Traditional Name: 4-[[6-amino-2-(pivaloylamino)hexanoyl]amino]-2-(3-hydroxyphenyl)benzoic acid methyl ester Formula: C25H33N3O5 MolecularWeight: 455.54662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(CCCCN)C(=O)NC1=CC(=C(C=C1)C(=O)OC)C2=CC(=CC=C2)O

Isomeric SMILES

CC(C)(C)C(=O)NC(CCCCN)C(=O)NC1=CC(=C(C=C1)C(=O)OC)C2=CC(=CC=C2)O

InChI

InChI=1S/C25H33N3O5/c1-25(2,3)24(32)28-21(10-5-6-13-26)22(30)27-17-11-12-19(23(31)33-4)20(15-17)16-8-7-9-18(29)14-16/h7-9,11-12,14-15,21,29H,5-6,10,13,26H2,1-4H3,(H,27,30)(H,28,32)