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

Systemtic Name: ethyl 6-[[3-(1,3-benzoxazol-2-yl)-4-(propylamino)phenyl]carbamoylamino]hexanoate Openeye Name: ethyl 6-[[3-(1,3-benzoxazol-2-yl)-4-(propylamino)phenyl]carbamoylamino]hexanoate CAS Name: 6-[[[3-(1,3-benzoxazol-2-yl)-4-(propylamino)anilino]-oxomethyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[[3-(1,3-benzoxazol-2-yl)-4-(propylamino)phenyl]carbamoylamino]hexanoate Traditional Name: 6-[[3-(1,3-benzoxazol-2-yl)-4-(propylamino)phenyl]carbamoylamino]hexanoic acid ethyl ester Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O4/c1-3-15-26-20-14-13-18(17-19(20)24-29-21-10-7-8-11-22(21)33-24)28-25(31)27-16-9-5-6-12-23(30)32-4-2/h7-8,10-11,13-14,17,26H,3-6,9,12,15-16H2,1-2H3,(H2,27,28,31)