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

Systemtic Name: 2-[[[4-[3-[(2-methyloctanoylamino)methyl]phenyl]phenyl]amino]methyl]benzoate Openeye Name: 2-[[4-[3-[(2-methyloctanoylamino)methyl]phenyl]anilino]methyl]benzoate CAS Name: 2-[[4-[3-[[(2-methyl-1-oxooctyl)amino]methyl]phenyl]anilino]methyl]benzoate IUPAC Name: 2-[[4-[3-[(2-methyloctanoylamino)methyl]phenyl]anilino]methyl]benzoate Traditional Name: 2-[[4-[3-[(2-methyloctanoylamino)methyl]phenyl]anilino]methyl]benzoate Formula: C30H35N2O3- MolecularWeight: 471.6105

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C(=O)NCC1=CC=CC(=C1)C2=CC=C(C=C2)NCC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

CCCCCCC(C)C(=O)NCC1=CC=CC(=C1)C2=CC=C(C=C2)NCC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C30H36N2O3/c1-3-4-5-6-10-22(2)29(33)32-20-23-11-9-13-25(19-23)24-15-17-27(18-16-24)31-21-26-12-7-8-14-28(26)30(34)35/h7-9,11-19,22,31H,3-6,10,20-21H2,1-2H3,(H,32,33)(H,34,35)/p-1