2-(hexadecoxymethyl)-3-phenylmethoxy-propan-1-amine

Systemtic Name: 2-(hexadecoxymethyl)-3-phenylmethoxy-propan-1-amine Openeye Name: 2-(benzyloxymethyl)-3-hexadecoxy-propan-1-amine CAS Name: 2-(hexadecoxymethyl)-3-phenylmethoxy-1-propanamine IUPAC Name: 2-(hexadecoxymethyl)-3-phenylmethoxypropan-1-amine Traditional Name: [2-(benzoxymethyl)-3-cetyloxy-propyl]amine Formula: C27H49NO2 MolecularWeight: 419.68346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CN)COCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CN)COCC1=CC=CC=C1

InChI

InChI=1S/C27H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-29-24-27(22-28)25-30-23-26-19-16-15-17-20-26/h15-17,19-20,27H,2-14,18,21-25,28H2,1H3