methyl 3-[4-[[(4-dec-1-ynylphenyl)methylamino]methyl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[[(4-dec-1-ynylphenyl)methylamino]methyl]phenyl]propanoate Openeye Name: methyl 3-[4-[[(4-dec-1-ynylphenyl)methylamino]methyl]phenyl]propanoate CAS Name: 3-[4-[[(4-dec-1-ynylphenyl)methylamino]methyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[[(4-dec-1-ynylphenyl)methylamino]methyl]phenyl]propanoate Traditional Name: 3-[4-[[(4-dec-1-ynylbenzyl)amino]methyl]phenyl]propionic acid methyl ester Formula: C28H37NO2 MolecularWeight: 419.59888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC1=CC=C(C=C1)CNCC2=CC=C(C=C2)CCC(=O)OC

Isomeric SMILES

CCCCCCCCC#CC1=CC=C(C=C1)CNCC2=CC=C(C=C2)CCC(=O)OC

InChI

InChI=1S/C28H37NO2/c1-3-4-5-6-7-8-9-10-11-24-12-16-26(17-13-24)22-29-23-27-18-14-25(15-19-27)20-21-28(30)31-2/h12-19,29H,3-9,20-23H2,1-2H3