ethyl 2-[butyl(2-phenoxyethanoyl)amino]-4-(hex-5-enylamino)benzoate

Systemtic Name: ethyl 2-[butyl(2-phenoxyethanoyl)amino]-4-(hex-5-enylamino)benzoate Openeye Name: ethyl 2-[butyl-(2-phenoxyacetyl)amino]-4-(hex-5-enylamino)benzoate CAS Name: 2-[butyl-(1-oxo-2-phenoxyethyl)amino]-4-(hex-5-enylamino)benzoic acid ethyl ester IUPAC Name: ethyl 2-[butyl-(2-phenoxyacetyl)amino]-4-(hex-5-enylamino)benzoate Traditional Name: 2-[butyl-(2-phenoxyacetyl)amino]-4-(hex-5-enylamino)benzoic acid ethyl ester Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(C=CC(=C1)NCCCCC=C)C(=O)OCC)C(=O)COC2=CC=CC=C2

Isomeric SMILES

CCCCN(C1=C(C=CC(=C1)NCCCCC=C)C(=O)OCC)C(=O)COC2=CC=CC=C2

InChI

InChI=1S/C27H36N2O4/c1-4-7-9-13-18-28-22-16-17-24(27(31)32-6-3)25(20-22)29(19-8-5-2)26(30)21-33-23-14-11-10-12-15-23/h4,10-12,14-17,20,28H,1,5-9,13,18-19,21H2,2-3H3