6-[[3-(1,3-benzoxazol-2-yl)-4-(propylamino)phenyl]carbamoylamino]hexanoic acid

Systemtic Name: 6-[[3-(1,3-benzoxazol-2-yl)-4-(propylamino)phenyl]carbamoylamino]hexanoic acid Openeye Name: 6-[[3-(1,3-benzoxazol-2-yl)-4-(propylamino)phenyl]carbamoylamino]hexanoic acid CAS Name: 6-[[[3-(1,3-benzoxazol-2-yl)-4-(propylamino)anilino]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[[3-(1,3-benzoxazol-2-yl)-4-(propylamino)phenyl]carbamoylamino]hexanoic acid Traditional Name: 6-[[3-(1,3-benzoxazol-2-yl)-4-(propylamino)phenyl]carbamoylamino]hexanoic acid Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1)NC(=O)NCCCCCC(=O)O)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CCCNC1=C(C=C(C=C1)NC(=O)NCCCCCC(=O)O)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C23H28N4O4/c1-2-13-24-18-12-11-16(26-23(30)25-14-7-3-4-10-21(28)29)15-17(18)22-27-19-8-5-6-9-20(19)31-22/h5-6,8-9,11-12,15,24H,2-4,7,10,13-14H2,1H3,(H,28,29)(H2,25,26,30)