6-[[3-(5-phenyl-1,3-benzoxazol-2-yl)-4-(propylamino)phenyl]carbamoylamino]hexanoic acid

Systemtic Name: 6-[[3-(5-phenyl-1,3-benzoxazol-2-yl)-4-(propylamino)phenyl]carbamoylamino]hexanoic acid Openeye Name: 6-[[3-(5-phenyl-1,3-benzoxazol-2-yl)-4-(propylamino)phenyl]carbamoylamino]hexanoic acid CAS Name: 6-[[oxo-[3-(5-phenyl-1,3-benzoxazol-2-yl)-4-(propylamino)anilino]methyl]amino]hexanoic acid IUPAC Name: 6-[[3-(5-phenyl-1,3-benzoxazol-2-yl)-4-(propylamino)phenyl]carbamoylamino]hexanoic acid Traditional Name: 6-[[3-(5-phenyl-1,3-benzoxazol-2-yl)-4-(propylamino)phenyl]carbamoylamino]hexanoic acid Formula: C29H32N4O4 MolecularWeight: 500.58878

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1)NC(=O)NCCCCCC(=O)O)C2=NC3=C(O2)C=CC(=C3)C4=CC=CC=C4

Isomeric SMILES

CCCNC1=C(C=C(C=C1)NC(=O)NCCCCCC(=O)O)C2=NC3=C(O2)C=CC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H32N4O4/c1-2-16-30-24-14-13-22(32-29(36)31-17-8-4-7-11-27(34)35)19-23(24)28-33-25-18-21(12-15-26(25)37-28)20-9-5-3-6-10-20/h3,5-6,9-10,12-15,18-19,30H,2,4,7-8,11,16-17H2,1H3,(H,34,35)(H2,31,32,36)