2-[[3-(hexylamino)-3-oxidanylidene-propanoyl]amino]benzoic acid

Systemtic Name: 2-[[3-(hexylamino)-3-oxidanylidene-propanoyl]amino]benzoic acid Openeye Name: 2-[[3-(hexylamino)-3-oxo-propanoyl]amino]benzoic acid CAS Name: 2-[[3-(hexylamino)-1,3-dioxopropyl]amino]benzoic acid IUPAC Name: 2-[[3-(hexylamino)-3-oxopropanoyl]amino]benzoic acid Traditional Name: 2-[[3-(hexylamino)-3-keto-propanoyl]amino]benzoic acid Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CC(=O)NC1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCCCCNC(=O)CC(=O)NC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C16H22N2O4/c1-2-3-4-7-10-17-14(19)11-15(20)18-13-9-6-5-8-12(13)16(21)22/h5-6,8-9H,2-4,7,10-11H2,1H3,(H,17,19)(H,18,20)(H,21,22)