(Z)-2-[4-[2-(hexylamino)-3-methyl-phenoxy]piperidin-4-yl]but-2-enedioate

Systemtic Name: (Z)-2-[4-[2-(hexylamino)-3-methyl-phenoxy]piperidin-4-yl]but-2-enedioate Openeye Name: (Z)-2-[4-[2-(hexylamino)-3-methyl-phenoxy]-4-piperidyl]but-2-enedioate CAS Name: (Z)-2-[4-[2-(hexylamino)-3-methylphenoxy]-4-piperidinyl]-2-butenedioate IUPAC Name: (Z)-2-[4-[2-(hexylamino)-3-methylphenoxy]piperidin-4-yl]but-2-enedioate Traditional Name: (Z)-2-[4-[2-(hexylamino)-3-methyl-phenoxy]-4-piperidyl]but-2-enedioate Formula: C22H30N2O5-2 MolecularWeight: 402.484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=C(C=CC=C1OC2(CCNCC2)C(=CC(=O)[O-])C(=O)[O-])C

Isomeric SMILES

CCCCCCNC1=C(C=CC=C1OC2(CCNCC2)/C(=C/C(=O)[O-])/C(=O)[O-])C

InChI

InChI=1S/C22H32N2O5/c1-3-4-5-6-12-24-20-16(2)8-7-9-18(20)29-22(10-13-23-14-11-22)17(21(27)28)15-19(25)26/h7-9,15,23-24H,3-6,10-14H2,1-2H3,(H,25,26)(H,27,28)/p-2/b17-15+