4-[2-(3,3-diphenylbutanoylamino)ethyl]benzoic acid

Systemtic Name: 4-[2-(3,3-diphenylbutanoylamino)ethyl]benzoic acid Openeye Name: 4-[2-(3,3-diphenylbutanoylamino)ethyl]benzoic acid CAS Name: 4-[2-[(1-oxo-3,3-diphenylbutyl)amino]ethyl]benzoic acid IUPAC Name: 4-[2-(3,3-diphenylbutanoylamino)ethyl]benzoic acid Traditional Name: 4-[2-(3,3-diphenylbutanoylamino)ethyl]benzoic acid Formula: C25H25NO3 MolecularWeight: 387.4709

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NCCC1=CC=C(C=C1)C(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)NCCC1=CC=C(C=C1)C(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H25NO3/c1-25(21-8-4-2-5-9-21,22-10-6-3-7-11-22)18-23(27)26-17-16-19-12-14-20(15-13-19)24(28)29/h2-15H,16-18H2,1H3,(H,26,27)(H,28,29)