2-[[4-[(4-hexoxyphenyl)carbonylamino]phenyl]methyl-(phenylmethyl)amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[4-[(4-hexoxyphenyl)carbonylamino]phenyl]methyl-(phenylmethyl)amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[benzyl-[[4-[(4-hexoxybenzoyl)amino]phenyl]methyl]amino]-2-oxo-acetic acid CAS Name: 2-[[4-[[(4-hexoxyphenyl)-oxomethyl]amino]phenyl]methyl-(phenylmethyl)amino]-2-oxoacetic acid IUPAC Name: 2-[benzyl-[[4-[(4-hexoxybenzoyl)amino]phenyl]methyl]amino]-2-oxoacetic acid Traditional Name: 2-[benzyl-[4-[(4-hexoxybenzoyl)amino]benzyl]amino]-2-keto-acetic acid Formula: C29H32N2O5 MolecularWeight: 488.57478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CN(CC3=CC=CC=C3)C(=O)C(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CN(CC3=CC=CC=C3)C(=O)C(=O)O

InChI

InChI=1S/C29H32N2O5/c1-2-3-4-8-19-36-26-17-13-24(14-18-26)27(32)30-25-15-11-23(12-16-25)21-31(28(33)29(34)35)20-22-9-6-5-7-10-22/h5-7,9-18H,2-4,8,19-21H2,1H3,(H,30,32)(H,34,35)