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

Systemtic Name: methyl 3-[(4-dec-1-ynylphenyl)methylamino]benzoate hydrochloride Openeye Name: methyl 3-[(4-dec-1-ynylphenyl)methylamino]benzoate hydrochloride CAS Name: 3-[(4-dec-1-ynylphenyl)methylamino]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[(4-dec-1-ynylphenyl)methylamino]benzoate hydrochloride Traditional Name: 3-[(4-dec-1-ynylbenzyl)amino]benzoic acid methyl ester hydrochloride Formula: C25H32ClNO2 MolecularWeight: 413.98008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO2.ClH/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;1H