4-[[3-(3-methylbutylamino)-3-oxidanylidene-propanoyl]amino]benzoic acid

Systemtic Name: 4-[[3-(3-methylbutylamino)-3-oxidanylidene-propanoyl]amino]benzoic acid Openeye Name: 4-[[3-(isopentylamino)-3-oxo-propanoyl]amino]benzoic acid CAS Name: 4-[[3-(3-methylbutylamino)-1,3-dioxopropyl]amino]benzoic acid IUPAC Name: 4-[[3-(3-methylbutylamino)-3-oxopropanoyl]amino]benzoic acid Traditional Name: 4-[[3-(isoamylamino)-3-keto-propanoyl]amino]benzoic acid Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CC(=O)NC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)CCNC(=O)CC(=O)NC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C15H20N2O4/c1-10(2)7-8-16-13(18)9-14(19)17-12-5-3-11(4-6-12)15(20)21/h3-6,10H,7-9H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)