ethyl 2-[2-but-3-enoxyethanoyl(butyl)amino]-4-(hex-5-enylamino)benzoate

Systemtic Name: ethyl 2-[2-but-3-enoxyethanoyl(butyl)amino]-4-(hex-5-enylamino)benzoate Openeye Name: ethyl 2-[(2-but-3-enoxyacetyl)-butyl-amino]-4-(hex-5-enylamino)benzoate CAS Name: 2-[(2-but-3-enoxy-1-oxoethyl)-butylamino]-4-(hex-5-enylamino)benzoic acid ethyl ester IUPAC Name: ethyl 2-[(2-but-3-enoxyacetyl)-butylamino]-4-(hex-5-enylamino)benzoate Traditional Name: 2-[(2-but-3-enoxyacetyl)-butyl-amino]-4-(hex-5-enylamino)benzoic acid ethyl ester Formula: C25H38N2O4 MolecularWeight: 430.58022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(C=CC(=C1)NCCCCC=C)C(=O)OCC)C(=O)COCCC=C

Isomeric SMILES

CCCCN(C1=C(C=CC(=C1)NCCCCC=C)C(=O)OCC)C(=O)COCCC=C

InChI

InChI=1S/C25H38N2O4/c1-5-9-12-13-16-26-21-14-15-22(25(29)31-8-4)23(19-21)27(17-10-6-2)24(28)20-30-18-11-7-3/h5,7,14-15,19,26H,1,3,6,8-13,16-18,20H2,2,4H3