ethyl 4-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-[hexyl(2-phenylmethoxyethanoyl)amino]benzoate

Systemtic Name: ethyl 4-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-[hexyl(2-phenylmethoxyethanoyl)amino]benzoate Openeye Name: ethyl 2-[(2-benzyloxyacetyl)-hexyl-amino]-4-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]benzoate CAS Name: 4-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-[hexyl-(1-oxo-2-phenylmethoxyethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-[hexyl-(2-phenylmethoxyacetyl)amino]benzoate Traditional Name: 2-[(2-benzoxyacetyl)-hexyl-amino]-4-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]benzoic acid ethyl ester Formula: C34H48N2O4 MolecularWeight: 548.75592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C1=C(C=CC(=C1)NCC=C(C)CCC=C(C)C)C(=O)OCC)C(=O)COCC2=CC=CC=C2

Isomeric SMILES

CCCCCCN(C1=C(C=CC(=C1)NC/C=C(\C)/CCC=C(C)C)C(=O)OCC)C(=O)COCC2=CC=CC=C2

InChI

InChI=1S/C34H48N2O4/c1-6-8-9-13-23-36(33(37)26-39-25-29-17-11-10-12-18-29)32-24-30(19-20-31(32)34(38)40-7-2)35-22-21-28(5)16-14-15-27(3)4/h10-12,15,17-21,24,35H,6-9,13-14,16,22-23,25-26H2,1-5H3/b28-21+