6-[[4-[(2-methylpropanoylamino)methyl]phenyl]carbonylamino]hexanoate

Systemtic Name: 6-[[4-[(2-methylpropanoylamino)methyl]phenyl]carbonylamino]hexanoate Openeye Name: 6-[[4-[(2-methylpropanoylamino)methyl]benzoyl]amino]hexanoate CAS Name: 6-[[[4-[[(2-methyl-1-oxopropyl)amino]methyl]phenyl]-oxomethyl]amino]hexanoate IUPAC Name: 6-[[4-[(2-methylpropanoylamino)methyl]benzoyl]amino]hexanoate Traditional Name: 6-[[4-[(isobutyrylamino)methyl]benzoyl]amino]hexanoate Formula: C18H25N2O4- MolecularWeight: 333.4021

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCC1=CC=C(C=C1)C(=O)NCCCCCC(=O)[O-]

Isomeric SMILES

CC(C)C(=O)NCC1=CC=C(C=C1)C(=O)NCCCCCC(=O)[O-]

InChI

InChI=1S/C18H26N2O4/c1-13(2)17(23)20-12-14-7-9-15(10-8-14)18(24)19-11-5-3-4-6-16(21)22/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,24)(H,20,23)(H,21,22)/p-1