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

Systemtic Name: 8-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoyl-methyl-amino]-2-methyl-octanoic acid Openeye Name: 8-[[2-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]acetyl]-methyl-amino]-2-methyl-octanoic acid CAS Name: 8-[[2-[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-1-oxoethyl]-methylamino]-2-methyloctanoic acid IUPAC Name: 8-[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-methylamino]-2-methyloctanoic acid Traditional Name: 8-[[2-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]acetyl]-methyl-amino]-2-methyl-caprylic acid Formula: C27H37N3O5 MolecularWeight: 483.59978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)N(C)CCCCCCC(C)C(=O)O)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)N(C)CCCCCCC(C)C(=O)O)OC

InChI

InChI=1S/C27H37N3O5/c1-19-11-8-9-13-22(19)28-27(34)29-23-15-14-21(17-24(23)35-4)18-25(31)30(3)16-10-6-5-7-12-20(2)26(32)33/h8-9,11,13-15,17,20H,5-7,10,12,16,18H2,1-4H3,(H,32,33)(H2,28,29,34)