methyl 4-[[[4-[2-(4-butylphenyl)ethynyl]phenyl]methylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[4-[2-(4-butylphenyl)ethynyl]phenyl]methylamino]methyl]benzoate Openeye Name: methyl 4-[[[4-[2-(4-butylphenyl)ethynyl]phenyl]methylamino]methyl]benzoate CAS Name: 4-[[[4-[2-(4-butylphenyl)ethynyl]phenyl]methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-[2-(4-butylphenyl)ethynyl]phenyl]methylamino]methyl]benzoate Traditional Name: 4-[[[4-[2-(4-butylphenyl)ethynyl]benzyl]amino]methyl]benzoic acid methyl ester Formula: C28H29NO2 MolecularWeight: 411.53536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)CNCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)CNCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C28H29NO2/c1-3-4-5-22-6-8-23(9-7-22)10-11-24-12-14-25(15-13-24)20-29-21-26-16-18-27(19-17-26)28(30)31-2/h6-9,12-19,29H,3-5,20-21H2,1-2H3