6-[[2-methoxy-5-[5-(4-methylphenyl)-1,3-benzoxazol-2-yl]phenyl]carbamoylamino]hexanoic acid

Systemtic Name: 6-[[2-methoxy-5-[5-(4-methylphenyl)-1,3-benzoxazol-2-yl]phenyl]carbamoylamino]hexanoic acid Openeye Name: 6-[[2-methoxy-5-[5-(p-tolyl)-1,3-benzoxazol-2-yl]phenyl]carbamoylamino]hexanoic acid CAS Name: 6-[[[2-methoxy-5-[5-(4-methylphenyl)-1,3-benzoxazol-2-yl]anilino]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[[2-methoxy-5-[5-(4-methylphenyl)-1,3-benzoxazol-2-yl]phenyl]carbamoylamino]hexanoic acid Traditional Name: 6-[[2-methoxy-5-[5-(p-tolyl)-1,3-benzoxazol-2-yl]phenyl]carbamoylamino]hexanoic acid Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)OC)NC(=O)NCCCCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)OC)NC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C28H29N3O5/c1-18-7-9-19(10-8-18)20-11-14-25-23(16-20)30-27(36-25)21-12-13-24(35-2)22(17-21)31-28(34)29-15-5-3-4-6-26(32)33/h7-14,16-17H,3-6,15H2,1-2H3,(H,32,33)(H2,29,31,34)