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

Systemtic Name: 6-[[2-methyl-5-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanoic acid Openeye Name: 6-[[2-methyl-5-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanoic acid CAS Name: 6-[[[2-methyl-5-(5-phenyl-1,3-benzoxazol-2-yl)anilino]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[[2-methyl-5-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanoic acid Traditional Name: 6-[[2-methyl-5-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanoic acid Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C4=CC=CC=C4)NC(=O)NCCCCCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C4=CC=CC=C4)NC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C27H27N3O4/c1-18-11-12-21(17-22(18)30-27(33)28-15-7-3-6-10-25(31)32)26-29-23-16-20(13-14-24(23)34-26)19-8-4-2-5-9-19/h2,4-5,8-9,11-14,16-17H,3,6-7,10,15H2,1H3,(H,31,32)(H2,28,30,33)