methyl 3-[3-methyl-3-[(phenylmethyl)amino]pent-1-ynyl]benzoate

Systemtic Name: methyl 3-[3-methyl-3-[(phenylmethyl)amino]pent-1-ynyl]benzoate Openeye Name: methyl 3-[3-(benzylamino)-3-methyl-pent-1-ynyl]benzoate CAS Name: 3-[3-methyl-3-[(phenylmethyl)amino]pent-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(benzylamino)-3-methylpent-1-ynyl]benzoate Traditional Name: 3-[3-(benzylamino)-3-methyl-pent-1-ynyl]benzoic acid methyl ester Formula: C21H23NO2 MolecularWeight: 321.41282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#CC1=CC(=CC=C1)C(=O)OC)NCC2=CC=CC=C2

Isomeric SMILES

CCC(C)(C#CC1=CC(=CC=C1)C(=O)OC)NCC2=CC=CC=C2

InChI

InChI=1S/C21H23NO2/c1-4-21(2,22-16-18-9-6-5-7-10-18)14-13-17-11-8-12-19(15-17)20(23)24-3/h5-12,15,22H,4,16H2,1-3H3