8-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoylamino]octanoic acid

Systemtic Name: 8-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoylamino]octanoic acid Openeye Name: 8-[[2-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]octanoic acid CAS Name: 8-[[2-[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-1-oxoethyl]amino]octanoic acid IUPAC Name: 8-[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]octanoic acid Traditional Name: 8-[[2-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]caprylic acid Formula: C25H33N3O5 MolecularWeight: 455.54662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)NCCCCCCCC(=O)O)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)NCCCCCCCC(=O)O)OC

InChI

InChI=1S/C25H33N3O5/c1-18-10-7-8-11-20(18)27-25(32)28-21-14-13-19(16-22(21)33-2)17-23(29)26-15-9-5-3-4-6-12-24(30)31/h7-8,10-11,13-14,16H,3-6,9,12,15,17H2,1-2H3,(H,26,29)(H,30,31)(H2,27,28,32)