methyl 4-[4-(octadecylamino)phenyl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[4-(octadecylamino)phenyl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-(octadecylamino)phenyl]-4-oxo-butanoate CAS Name: 4-[4-(octadecylamino)phenyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-(octadecylamino)phenyl]-4-oxobutanoate Traditional Name: 4-keto-4-[4-(stearylamino)phenyl]butyric acid methyl ester Formula: C29H49NO3 MolecularWeight: 459.70426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)CCC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)CCC(=O)OC

InChI

InChI=1S/C29H49NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-30-27-21-19-26(20-22-27)28(31)23-24-29(32)33-2/h19-22,30H,3-18,23-25H2,1-2H3