4-[2-(3-bromanyl-5-methoxy-4-propoxy-phenyl)ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-(3-bromanyl-5-methoxy-4-propoxy-phenyl)ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(3-bromo-5-methoxy-4-propoxy-phenyl)ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-(3-bromo-5-methoxy-4-propoxyphenyl)ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-(3-bromo-5-methoxy-4-propoxyphenyl)ethylamino]-4-oxobutanoic acid Traditional Name: 4-[2-(3-bromo-5-methoxy-4-propoxy-phenyl)ethylamino]-4-keto-butyric acid Formula: C16H22BrNO5 MolecularWeight: 388.25358

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)CCNC(=O)CCC(=O)O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)CCNC(=O)CCC(=O)O)OC

InChI

InChI=1S/C16H22BrNO5/c1-3-8-23-16-12(17)9-11(10-13(16)22-2)6-7-18-14(19)4-5-15(20)21/h9-10H,3-8H2,1-2H3,(H,18,19)(H,20,21)