3-[[4-(hexadecanoylamino)phenyl]amino]-2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[4-(hexadecanoylamino)phenyl]amino]-2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-(hexadecanoylamino)anilino]-2-[(4-methoxyphenyl)methyl]-3-oxo-propanoic acid CAS Name: 2-[(4-methoxyphenyl)methyl]-3-oxo-3-[4-(1-oxohexadecylamino)anilino]propanoic acid IUPAC Name: 3-[4-(hexadecanoylamino)anilino]-2-[(4-methoxyphenyl)methyl]-3-oxopropanoic acid Traditional Name: 3-keto-3-(4-palmitamidoanilino)-2-p-anisyl-propionic acid Formula: C33H48N2O5 MolecularWeight: 552.74462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)NC(=O)C(CC2=CC=C(C=C2)OC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)NC(=O)C(CC2=CC=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C33H48N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-31(36)34-27-19-21-28(22-20-27)35-32(37)30(33(38)39)25-26-17-23-29(40-2)24-18-26/h17-24,30H,3-16,25H2,1-2H3,(H,34,36)(H,35,37)(H,38,39)