methyl 2-[(2-methoxy-2-oxidanylidene-ethyl)-[3-octadecoxy-5-(quinolin-2-ylmethoxy)phenyl]amino]ethanoate

Systemtic Name: methyl 2-[(2-methoxy-2-oxidanylidene-ethyl)-[3-octadecoxy-5-(quinolin-2-ylmethoxy)phenyl]amino]ethanoate Openeye Name: methyl 2-[N-(2-methoxy-2-oxo-ethyl)-3-octadecoxy-5-(2-quinolylmethoxy)anilino]acetate CAS Name: 2-[N-(2-methoxy-2-oxoethyl)-3-octadecoxy-5-(2-quinolinylmethoxy)anilino]acetic acid methyl ester IUPAC Name: methyl 2-[N-(2-methoxy-2-oxoethyl)-3-octadecoxy-5-(quinolin-2-ylmethoxy)anilino]acetate Traditional Name: 2-[N-(2-keto-2-methoxy-ethyl)-3-(2-quinolylmethoxy)-5-stearyloxy-anilino]acetic acid methyl ester Formula: C40H58N2O6 MolecularWeight: 662.89832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)OCC2=NC3=CC=CC=C3C=C2)N(CC(=O)OC)CC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)OCC2=NC3=CC=CC=C3C=C2)N(CC(=O)OC)CC(=O)OC

InChI

InChI=1S/C40H58N2O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-47-36-27-35(42(30-39(43)45-2)31-40(44)46-3)28-37(29-36)48-32-34-25-24-33-22-19-20-23-38(33)41-34/h19-20,22-25,27-29H,4-18,21,26,30-32H2,1-3H3