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

Systemtic Name: ethyl 6-[[3-(5-phenyl-1,3-benzoxazol-2-yl)-4-(propylamino)phenyl]carbamoylamino]hexanoate Openeye Name: ethyl 6-[[3-(5-phenyl-1,3-benzoxazol-2-yl)-4-(propylamino)phenyl]carbamoylamino]hexanoate CAS Name: 6-[[oxo-[3-(5-phenyl-1,3-benzoxazol-2-yl)-4-(propylamino)anilino]methyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[[3-(5-phenyl-1,3-benzoxazol-2-yl)-4-(propylamino)phenyl]carbamoylamino]hexanoate Traditional Name: 6-[[3-(5-phenyl-1,3-benzoxazol-2-yl)-4-(propylamino)phenyl]carbamoylamino]hexanoic acid ethyl ester Formula: C31H36N4O4 MolecularWeight: 528.64194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H36N4O4/c1-3-18-32-26-16-15-24(34-31(37)33-19-10-6-9-13-29(36)38-4-2)21-25(26)30-35-27-20-23(14-17-28(27)39-30)22-11-7-5-8-12-22/h5,7-8,11-12,14-17,20-21,32H,3-4,6,9-10,13,18-19H2,1-2H3,(H2,33,34,37)