ethyl 2-[(3,5-dimethylphenyl)methyl-(2-ethoxyethanoyl)amino]-6-(hexylamino)benzoate

Systemtic Name: ethyl 2-[(3,5-dimethylphenyl)methyl-(2-ethoxyethanoyl)amino]-6-(hexylamino)benzoate Openeye Name: ethyl 2-[(3,5-dimethylphenyl)methyl-(2-ethoxyacetyl)amino]-6-(hexylamino)benzoate CAS Name: 2-[(3,5-dimethylphenyl)methyl-(2-ethoxy-1-oxoethyl)amino]-6-(hexylamino)benzoic acid ethyl ester IUPAC Name: ethyl 2-[(3,5-dimethylphenyl)methyl-(2-ethoxyacetyl)amino]-6-(hexylamino)benzoate Traditional Name: 2-[(3,5-dimethylbenzyl)-(2-ethoxyacetyl)amino]-6-(hexylamino)benzoic acid ethyl ester Formula: C28H40N2O4 MolecularWeight: 468.6282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=C(C(=CC=C1)N(CC2=CC(=CC(=C2)C)C)C(=O)COCC)C(=O)OCC

Isomeric SMILES

CCCCCCNC1=C(C(=CC=C1)N(CC2=CC(=CC(=C2)C)C)C(=O)COCC)C(=O)OCC

InChI

InChI=1S/C28H40N2O4/c1-6-9-10-11-15-29-24-13-12-14-25(27(24)28(32)34-8-3)30(26(31)20-33-7-2)19-23-17-21(4)16-22(5)18-23/h12-14,16-18,29H,6-11,15,19-20H2,1-5H3