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

Systemtic Name: 4-[[3-(5-phenyl-1,3-benzoxazol-2-yl)-4-(propylamino)phenyl]carbamoylamino]butanoic acid Openeye Name: 4-[[3-(5-phenyl-1,3-benzoxazol-2-yl)-4-(propylamino)phenyl]carbamoylamino]butanoic acid CAS Name: 4-[[oxo-[3-(5-phenyl-1,3-benzoxazol-2-yl)-4-(propylamino)anilino]methyl]amino]butanoic acid IUPAC Name: 4-[[3-(5-phenyl-1,3-benzoxazol-2-yl)-4-(propylamino)phenyl]carbamoylamino]butanoic acid Traditional Name: 4-[[3-(5-phenyl-1,3-benzoxazol-2-yl)-4-(propylamino)phenyl]carbamoylamino]butyric acid Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O4/c1-2-14-28-22-12-11-20(30-27(34)29-15-6-9-25(32)33)17-21(22)26-31-23-16-19(10-13-24(23)35-26)18-7-4-3-5-8-18/h3-5,7-8,10-13,16-17,28H,2,6,9,14-15H2,1H3,(H,32,33)(H2,29,30,34)