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2-ethyl-4-[(2-octoxyethanoylamino)-(phenylmethyl)amino]benzoic acid

2-ethyl-4-[(2-octoxyethanoylamino)-(phenylmethyl)amino]benzoic acid

Systemtic Name:2-ethyl-4-[(2-octoxyethanoylamino)-(phenylmethyl)amino]benzoic acid
Openeye Name:4-[benzyl-[(2-octoxyacetyl)amino]amino]-2-ethyl-benzoic acid
CAS Name:2-ethyl-4-[[(2-octoxy-1-oxoethyl)amino]-(phenylmethyl)amino]benzoic acid
IUPAC Name:4-[benzyl-[(2-octoxyacetyl)amino]amino]-2-ethylbenzoic acid
Traditional Name:4-[benzyl-[(2-octoxyacetyl)amino]amino]-2-ethyl-benzoic acid
Formula: C26H36N2O4
MolecularWeight: 440.57504
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCC(=O)NN(CC1=CC=CC=C1)C2=CC(=C(C=C2)C(=O)O)CC


Isomeric SMILES

CCCCCCCCOCC(=O)NN(CC1=CC=CC=C1)C2=CC(=C(C=C2)C(=O)O)CC


InChI

InChI=1S/C26H36N2O4/c1-3-5-6-7-8-12-17-32-20-25(29)27-28(19-21-13-10-9-11-14-21)23-15-16-24(26(30)31)22(4-2)18-23/h9-11,13-16,18H,3-8,12,17,19-20H2,1-2H3,(H,27,29)(H,30,31)


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