methyl 4-[4-(1-azanylheptyl)phenyl]butanoate

Systemtic Name: methyl 4-[4-(1-azanylheptyl)phenyl]butanoate Openeye Name: methyl 4-[4-(1-aminoheptyl)phenyl]butanoate CAS Name: 4-[4-(1-aminoheptyl)phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-(1-aminoheptyl)phenyl]butanoate Traditional Name: 4-[4-(1-aminoheptyl)phenyl]butyric acid methyl ester Formula: C18H29NO2 MolecularWeight: 291.42836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO2/c1-3-4-5-6-9-17(19)16-13-11-15(12-14-16)8-7-10-18(20)21-2/h11-14,17H,3-10,19H2,1-2H3