2-[(2-ethoxyethanoylamino)-hexyl-amino]-3-(2-phenylpropan-2-yl)benzoic acid

Systemtic Name: 2-[(2-ethoxyethanoylamino)-hexyl-amino]-3-(2-phenylpropan-2-yl)benzoic acid Openeye Name: 2-[[(2-ethoxyacetyl)amino]-hexyl-amino]-3-(1-methyl-1-phenyl-ethyl)benzoic acid CAS Name: 2-[[(2-ethoxy-1-oxoethyl)amino]-hexylamino]-3-(2-phenylpropan-2-yl)benzoic acid IUPAC Name: 2-[[(2-ethoxyacetyl)amino]-hexylamino]-3-(2-phenylpropan-2-yl)benzoic acid Traditional Name: 3-cumyl-2-[[(2-ethoxyacetyl)amino]-hexyl-amino]benzoic acid Formula: C26H36N2O4 MolecularWeight: 440.57504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C1=C(C=CC=C1C(C)(C)C2=CC=CC=C2)C(=O)O)NC(=O)COCC

Isomeric SMILES

CCCCCCN(C1=C(C=CC=C1C(C)(C)C2=CC=CC=C2)C(=O)O)NC(=O)COCC

InChI

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