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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N4O4/c1-3-16-30-24-14-13-22(32-29(35)31-17-8-11-27(34)36-4-2)19-23(24)28-33-25-18-21(12-15-26(25)37-28)20-9-6-5-7-10-20/h5-7,9-10,12-15,18-19,30H,3-4,8,11,16-17H2,1-2H3,(H2,31,32,35)