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

Systemtic Name: methyl 3-[(4-dec-1-ynylphenyl)methylamino]benzoate Openeye Name: methyl 3-[(4-dec-1-ynylphenyl)methylamino]benzoate CAS Name: 3-[(4-dec-1-ynylphenyl)methylamino]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-dec-1-ynylphenyl)methylamino]benzoate Traditional Name: 3-[(4-dec-1-ynylbenzyl)amino]benzoic acid methyl ester Formula: C25H31NO2 MolecularWeight: 377.51914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC1=CC=C(C=C1)CNC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CCCCCCCCC#CC1=CC=C(C=C1)CNC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C25H31NO2/c1-3-4-5-6-7-8-9-10-12-21-15-17-22(18-16-21)20-26-24-14-11-13-23(19-24)25(27)28-2/h11,13-19,26H,3-9,20H2,1-2H3