ethyl 2-[[(E)-but-1-enyl]-(2-hex-5-enoxyethanoyl)amino]-4-(hex-5-enylamino)benzoate

Systemtic Name: ethyl 2-[[(E)-but-1-enyl]-(2-hex-5-enoxyethanoyl)amino]-4-(hex-5-enylamino)benzoate Openeye Name: ethyl 2-[[(E)-but-1-enyl]-(2-hex-5-enoxyacetyl)amino]-4-(hex-5-enylamino)benzoate CAS Name: 2-[[(E)-but-1-enyl]-(2-hex-5-enoxy-1-oxoethyl)amino]-4-(hex-5-enylamino)benzoic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-but-1-enyl]-(2-hex-5-enoxyacetyl)amino]-4-(hex-5-enylamino)benzoate Traditional Name: 2-[[(E)-but-1-enyl]-(2-hex-5-enoxyacetyl)amino]-4-(hex-5-enylamino)benzoic acid ethyl ester Formula: C27H40N2O4 MolecularWeight: 456.6175

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CN(C1=C(C=CC(=C1)NCCCCC=C)C(=O)OCC)C(=O)COCCCCC=C

Isomeric SMILES

CC/C=C/N(C1=C(C=CC(=C1)NCCCCC=C)C(=O)OCC)C(=O)COCCCCC=C

InChI

InChI=1S/C27H40N2O4/c1-5-9-12-14-18-28-23-16-17-24(27(31)33-8-4)25(21-23)29(19-11-7-3)26(30)22-32-20-15-13-10-6-2/h5-6,11,16-17,19,21,28H,1-2,7-10,12-15,18,20,22H2,3-4H3/b19-11+