6-azanylhexyl 3-(2-azanyl-3-propyl-phenyl)propanoate

Systemtic Name: 6-azanylhexyl 3-(2-azanyl-3-propyl-phenyl)propanoate Openeye Name: 6-aminohexyl 3-(2-amino-3-propyl-phenyl)propanoate CAS Name: 3-(2-amino-3-propylphenyl)propanoic acid 6-aminohexyl ester IUPAC Name: 6-aminohexyl 3-(2-amino-3-propylphenyl)propanoate Traditional Name: 3-(2-amino-3-propyl-phenyl)propionic acid 6-aminohexyl ester Formula: C18H30N2O2 MolecularWeight: 306.443

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC(=C1N)CCC(=O)OCCCCCCN

Isomeric SMILES

CCCC1=CC=CC(=C1N)CCC(=O)OCCCCCCN

InChI

InChI=1S/C18H30N2O2/c1-2-8-15-9-7-10-16(18(15)20)11-12-17(21)22-14-6-4-3-5-13-19/h7,9-10H,2-6,8,11-14,19-20H2,1H3