4-[2-(3-bromanyl-5-methoxy-4-pentoxy-phenyl)ethylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[2-(3-bromanyl-5-methoxy-4-pentoxy-phenyl)ethylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-(3-bromo-5-methoxy-4-pentoxy-phenyl)ethylamino]-4-oxo-butanoate CAS Name: 4-[2-(3-bromo-5-methoxy-4-pentoxyphenyl)ethylamino]-4-oxobutanoate IUPAC Name: 4-[2-(3-bromo-5-methoxy-4-pentoxyphenyl)ethylamino]-4-oxobutanoate Traditional Name: 4-[2-(4-amoxy-3-bromo-5-methoxy-phenyl)ethylamino]-4-keto-butyrate Formula: C18H25BrNO5- MolecularWeight: 415.2988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1Br)CCNC(=O)CCC(=O)[O-])OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1Br)CCNC(=O)CCC(=O)[O-])OC

InChI

InChI=1S/C18H26BrNO5/c1-3-4-5-10-25-18-14(19)11-13(12-15(18)24-2)8-9-20-16(21)6-7-17(22)23/h11-12H,3-10H2,1-2H3,(H,20,21)(H,22,23)/p-1