3-[[4-[3-[(2-methyloctanoylamino)methyl]phenyl]phenyl]amino]benzoic acid

Systemtic Name: 3-[[4-[3-[(2-methyloctanoylamino)methyl]phenyl]phenyl]amino]benzoic acid Openeye Name: 3-[4-[3-[(2-methyloctanoylamino)methyl]phenyl]anilino]benzoic acid CAS Name: 3-[4-[3-[[(2-methyl-1-oxooctyl)amino]methyl]phenyl]anilino]benzoic acid IUPAC Name: 3-[4-[3-[(2-methyloctanoylamino)methyl]phenyl]anilino]benzoic acid Traditional Name: 3-[4-[3-[(2-methyloctanoylamino)methyl]phenyl]anilino]benzoic acid Formula: C29H34N2O3 MolecularWeight: 458.59186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C(=O)NCC1=CC=CC(=C1)C2=CC=C(C=C2)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCCCCCC(C)C(=O)NCC1=CC=CC(=C1)C2=CC=C(C=C2)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C29H34N2O3/c1-3-4-5-6-9-21(2)28(32)30-20-22-10-7-11-24(18-22)23-14-16-26(17-15-23)31-27-13-8-12-25(19-27)29(33)34/h7-8,10-19,21,31H,3-6,9,20H2,1-2H3,(H,30,32)(H,33,34)