2-cyano-3-[4-(15-methylhexadecylamino)phenyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 2-cyano-3-[4-(15-methylhexadecylamino)phenyl]-3-oxidanylidene-propanoic acid Openeye Name: 2-cyano-3-[4-(15-methylhexadecylamino)phenyl]-3-oxo-propanoic acid CAS Name: 2-cyano-3-[4-(15-methylhexadecylamino)phenyl]-3-oxopropanoic acid IUPAC Name: 2-cyano-3-[4-(15-methylhexadecylamino)phenyl]-3-oxopropanoic acid Traditional Name: 2-cyano-3-keto-3-[4-(15-methylhexadecylamino)phenyl]propionic acid Formula: C27H42N2O3 MolecularWeight: 442.63398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)C(C#N)C(=O)O

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)C(C#N)C(=O)O

InChI

InChI=1S/C27H42N2O3/c1-22(2)15-13-11-9-7-5-3-4-6-8-10-12-14-20-29-24-18-16-23(17-19-24)26(30)25(21-28)27(31)32/h16-19,22,25,29H,3-15,20H2,1-2H3,(H,31,32)