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

Systemtic Name: 3-[[4-(decanoylamino)phenyl]amino]-2-[(2-methoxyphenyl)methyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-(decanoylamino)anilino]-2-[(2-methoxyphenyl)methyl]-3-oxo-propanoic acid CAS Name: 2-[(2-methoxyphenyl)methyl]-3-oxo-3-[4-(1-oxodecylamino)anilino]propanoic acid IUPAC Name: 3-[4-(decanoylamino)anilino]-2-[(2-methoxyphenyl)methyl]-3-oxopropanoic acid Traditional Name: 3-[4-(caprylamino)anilino]-3-keto-2-o-anisyl-propionic acid Formula: C27H36N2O5 MolecularWeight: 468.58514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2OC)C(=O)O

Isomeric SMILES

CCCCCCCCCC(=O)NC1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2OC)C(=O)O

InChI

InChI=1S/C27H36N2O5/c1-3-4-5-6-7-8-9-14-25(30)28-21-15-17-22(18-16-21)29-26(31)23(27(32)33)19-20-12-10-11-13-24(20)34-2/h10-13,15-18,23H,3-9,14,19H2,1-2H3,(H,28,30)(H,29,31)(H,32,33)