ethyl 4-[17-(6-methylpyridin-2-yl)heptadec-13-ynylamino]benzoate

Systemtic Name: ethyl 4-[17-(6-methylpyridin-2-yl)heptadec-13-ynylamino]benzoate Openeye Name: ethyl 4-[17-(6-methyl-2-pyridyl)heptadec-13-ynylamino]benzoate CAS Name: 4-[17-(6-methyl-2-pyridinyl)heptadec-13-ynylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[17-(6-methylpyridin-2-yl)heptadec-13-ynylamino]benzoate Traditional Name: 4-[17-(6-methyl-2-pyridyl)heptadec-13-ynylamino]benzoic acid ethyl ester Formula: C32H46N2O2 MolecularWeight: 490.71984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCCC#CCCCC2=CC=CC(=N2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCCC#CCCCC2=CC=CC(=N2)C

InChI

InChI=1S/C32H46N2O2/c1-3-36-32(35)29-23-25-30(26-24-29)33-27-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-21-31-22-19-20-28(2)34-31/h19-20,22-26,33H,3-10,12,14-18,21,27H2,1-2H3