2-[4-(15-methylhexadecylamino)phenyl]carbonyl-3-oxidanylidene-3-phenyl-propanoate

Systemtic Name: 2-[4-(15-methylhexadecylamino)phenyl]carbonyl-3-oxidanylidene-3-phenyl-propanoate Openeye Name: 2-benzoyl-3-[4-(15-methylhexadecylamino)phenyl]-3-oxo-propanoate CAS Name: 2-benzoyl-3-[4-(15-methylhexadecylamino)phenyl]-3-oxopropanoate IUPAC Name: 2-benzoyl-3-[4-(15-methylhexadecylamino)phenyl]-3-oxopropanoate Traditional Name: 2-benzoyl-3-keto-3-[4-(15-methylhexadecylamino)phenyl]propionate Formula: C33H46NO4- MolecularWeight: 520.72264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)C(C(=O)C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)C(C(=O)C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C33H47NO4/c1-26(2)18-14-11-9-7-5-3-4-6-8-10-12-17-25-34-29-23-21-28(22-24-29)32(36)30(33(37)38)31(35)27-19-15-13-16-20-27/h13,15-16,19-24,26,30,34H,3-12,14,17-18,25H2,1-2H3,(H,37,38)/p-1