methyl 3-(3-azanyl-4-hexadecoxy-phenyl)propanoate

Systemtic Name: methyl 3-(3-azanyl-4-hexadecoxy-phenyl)propanoate Openeye Name: methyl 3-(3-amino-4-hexadecoxy-phenyl)propanoate CAS Name: 3-(3-amino-4-hexadecoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-(3-amino-4-hexadecoxyphenyl)propanoate Traditional Name: 3-(3-amino-4-cetyloxy-phenyl)propionic acid methyl ester Formula: C26H45NO3 MolecularWeight: 419.6404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CCC(=O)OC)N

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CCC(=O)OC)N

InChI

InChI=1S/C26H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30-25-19-17-23(22-24(25)27)18-20-26(28)29-2/h17,19,22H,3-16,18,20-21,27H2,1-2H3