methyl 4-[4-(1-azanyl-6,6-dimethyl-heptyl)phenyl]butanoate

Systemtic Name: methyl 4-[4-(1-azanyl-6,6-dimethyl-heptyl)phenyl]butanoate Openeye Name: methyl 4-[4-(1-amino-6,6-dimethyl-heptyl)phenyl]butanoate CAS Name: 4-[4-(1-amino-6,6-dimethylheptyl)phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-(1-amino-6,6-dimethylheptyl)phenyl]butanoate Traditional Name: 4-[4-(1-amino-6,6-dimethyl-heptyl)phenyl]butyric acid methyl ester Formula: C20H33NO2 MolecularWeight: 319.48152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCCCC(C1=CC=C(C=C1)CCCC(=O)OC)N

Isomeric SMILES

CC(C)(C)CCCCC(C1=CC=C(C=C1)CCCC(=O)OC)N

InChI

InChI=1S/C20H33NO2/c1-20(2,3)15-6-5-9-18(21)17-13-11-16(12-14-17)8-7-10-19(22)23-4/h11-14,18H,5-10,15,21H2,1-4H3