methyl 4-[4-(hexadecan-2-ylamino)phenyl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[4-(hexadecan-2-ylamino)phenyl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-(1-methylpentadecylamino)phenyl]-4-oxo-butanoate CAS Name: 4-[4-(hexadecan-2-ylamino)phenyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-(hexadecan-2-ylamino)phenyl]-4-oxobutanoate Traditional Name: 4-keto-4-[4-(1-methylpentadecylamino)phenyl]butyric acid methyl ester Formula: C27H45NO3 MolecularWeight: 431.6511

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C)NC1=CC=C(C=C1)C(=O)CCC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCC(C)NC1=CC=C(C=C1)C(=O)CCC(=O)OC

InChI

InChI=1S/C27H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23(2)28-25-19-17-24(18-20-25)26(29)21-22-27(30)31-3/h17-20,23,28H,4-16,21-22H2,1-3H3