methyl 6-[2-(3-azanyl-3-methyl-but-1-ynyl)phenyl]hex-5-ynoate

Systemtic Name: methyl 6-[2-(3-azanyl-3-methyl-but-1-ynyl)phenyl]hex-5-ynoate Openeye Name: methyl 6-[2-(3-amino-3-methyl-but-1-ynyl)phenyl]hex-5-ynoate CAS Name: 6-[2-(3-amino-3-methylbut-1-ynyl)phenyl]-5-hexynoic acid methyl ester IUPAC Name: methyl 6-[2-(3-amino-3-methylbut-1-ynyl)phenyl]hex-5-ynoate Traditional Name: 6-[2-(3-amino-3-methyl-but-1-ynyl)phenyl]hex-5-ynoic acid methyl ester Formula: C18H21NO2 MolecularWeight: 283.36484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=CC=C1C#CCCCC(=O)OC)N

Isomeric SMILES

CC(C)(C#CC1=CC=CC=C1C#CCCCC(=O)OC)N

InChI

InChI=1S/C18H21NO2/c1-18(2,19)14-13-16-11-8-7-10-15(16)9-5-4-6-12-17(20)21-3/h7-8,10-11H,4,6,12,19H2,1-3H3