4-[methyl(octadecyl)amino]-3-[(3-oxidanylidene-3-phenyl-propanoyl)amino]benzoic acid

Systemtic Name: 4-[methyl(octadecyl)amino]-3-[(3-oxidanylidene-3-phenyl-propanoyl)amino]benzoic acid Openeye Name: 4-[methyl(octadecyl)amino]-3-[(3-oxo-3-phenyl-propanoyl)amino]benzoic acid CAS Name: 3-[(1,3-dioxo-3-phenylpropyl)amino]-4-[methyl(octadecyl)amino]benzoic acid IUPAC Name: 4-[methyl(octadecyl)amino]-3-[(3-oxo-3-phenylpropanoyl)amino]benzoic acid Traditional Name: 3-[(3-keto-3-phenyl-propanoyl)amino]-4-[methyl(stearyl)amino]benzoic acid Formula: C35H52N2O4 MolecularWeight: 564.79838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)C1=C(C=C(C=C1)C(=O)O)NC(=O)CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)C1=C(C=C(C=C1)C(=O)O)NC(=O)CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C35H52N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-37(2)32-25-24-30(35(40)41)27-31(32)36-34(39)28-33(38)29-22-19-18-20-23-29/h18-20,22-25,27H,3-17,21,26,28H2,1-2H3,(H,36,39)(H,40,41)