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

Systemtic Name: 8-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoylamino]-2-methyl-octanoic acid Openeye Name: 8-[[2-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]-2-methyl-octanoic acid CAS Name: 8-[[2-[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-1-oxoethyl]amino]-2-methyloctanoic acid IUPAC Name: 8-[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-methyloctanoic acid Traditional Name: 8-[[2-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]-2-methyl-caprylic acid Formula: C26H35N3O5 MolecularWeight: 469.5732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O5/c1-18-10-7-8-12-21(18)28-26(33)29-22-14-13-20(16-23(22)34-3)17-24(30)27-15-9-5-4-6-11-19(2)25(31)32/h7-8,10,12-14,16,19H,4-6,9,11,15,17H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)