methyl (9E,12E)-octadeca-9,12-dienoate; 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol

Systemtic Name: methyl (9E,12E)-octadeca-9,12-dienoate; 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol Openeye Name: 1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol; methyl (9E,12E)-octadeca-9,12-dienoate CAS Name: 1-(1-naphthalenyloxy)-3-(propan-2-ylamino)-2-propanol; (9E,12E)-octadeca-9,12-dienoic acid methyl ester IUPAC Name: methyl (9E,12E)-octadeca-9,12-dienoate; 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol Traditional Name: 1-(isopropylamino)-3-(1-naphthoxy)propan-2-ol; (9E,12E)-octadeca-9,12-dienoic acid methyl ester Formula: C35H55NO4 MolecularWeight: 553.8155

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)OC.CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC.CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O

InChI

InChI=1S/C19H34O2.C16H21NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2;1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h7-8,10-11H,3-6,9,12-18H2,1-2H3;3-9,12,14,17-18H,10-11H2,1-2H3/b8-7+,11-10+;